_exptl.method

  The method used in the experiment.

_software.classification

  The classification of the program according to its
  major function.

_symmetry.space_group_name_H-M

  Hermann-Mauguin space-group symbol. Note that the
  Hermann-Mauguin symbol does not necessarily contain complete
  information about the symmetry and the space-group origin. If
  used, always supply the FULL symbol from International Tables
  for Crystallography Vol. A (2002) and indicate the origin and
  the setting if it is not implicit. If there is any doubt that
  the equivalent positions can be uniquely deduced from this
  symbol, specify the  _symmetry_equiv.pos_as_xyz or
  _symmetry.space_group_name_Hall  data items as well. Leave
  spaces between symbols referring to
  different axes.

_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}

  Unit-cell length a corresponding to the structure reported in
  angstroms.

  Unit-cell length b corresponding to the structure reported in
  angstroms.

  Unit-cell length c corresponding to the structure reported in
  angstroms.

  Unit-cell angle alpha of the reported structure in degrees.

  Unit-cell angle beta of the reported structure in degrees.

  Unit-cell angle gamma of the reported structure in degrees.

_diffrn_radiation_wavelength.wavelength

_reflns.d_resolution_low _reflns_shell.d_res_low

  The largest value in angstroms for the interplanar spacings
  for the reflection data. This is called the lowest resolution.

  The highest value in angstroms for the interplanar spacings
  for the reflections in this shell. This is called the lowest
  resolution.

  The highest value in angstroms for the interplanar spacings
  for the reflections in this shell. This is called the lowest
  resolution.

_reflns.d_resolution_high _reflns_shell.d_res_high

  The smallest value in angstroms for the interplanar spacings
  for the reflection data. This is called the highest resolution.

  The smallest value in angstroms for the interplanar spacings
  for the reflections in this shell. This is called the highest
  resolution.

  The smallest value in angstroms for the interplanar spacings
  for the reflections in this shell. This is called the highest
  resolution.

_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs

  The R value for merging intensities satisfying the observed
  criteria in this data set.

  The value of Rmerge(I) for reflections classified as 'observed'
  (see _reflns.observed_criterion) in a given shell.
  
  sum~i~(sum~j~|I~j~ - <I>|)
  Rmerge(I) = --------------------------
  sum~i~(sum~j~<I>)
  
  I~j~ = the intensity of the jth observation of reflection i
  <I>  = the mean of the intensities of all observations of
  reflection i
  
  sum~i~ is taken over all reflections
  sum~j~ is taken over all observations of each reflection

  The value of Rmerge(I) for reflections classified as 'observed'
  (see _reflns.observed_criterion) in a given shell.
  
  sum~i~(sum~j~|I~j~ - <I>|)
  Rmerge(I) = --------------------------
  sum~i~(sum~j~<I>)
  
  I~j~ = the intensity of the jth observation of reflection i
  <I>  = the mean of the intensities of all observations of
  reflection i
  
  sum~i~ is taken over all reflections
  sum~j~ is taken over all observations of each reflection

_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all

  The precision-indicating merging R factor value Rpim,
  for merging all intensities in this data set.
  
  sum~i~ [1/(N~i~ - 1)]1/2^ sum~j~ | I~j~ - <I~i~> |
  Rpim = --------------------------------------------------
  sum~i~ ( sum~j~ I~j~ )
  
  I~j~   = the intensity of the jth observation of reflection i
  <I~i~> = the mean of the intensities of all observations
  of reflection i
  N~i~   = the redundancy (the number of times reflection i
  has been measured).
  
  sum~i~ is taken over all reflections
  sum~j~ is taken over all observations of each reflection.
  
  Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct.
  Biol. 4, 269-275.
  Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst.
  30, 203-205.
  Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.

  The precision-indicating merging R factor value Rpim,
  for merging all intensities in a given shell.
  
  sum~i~ [1/(N~i~ - 1)]1/2^ sum~j~ | I~j~ - <I~i~> |
  Rpim = --------------------------------------------------
  sum~i~ ( sum~j~ I~j~ )
  
  I~j~   = the intensity of the jth observation of reflection i
  <I~i~> = the mean of the intensities of all observations of
  reflection i
  N~i~   = the redundancy (the number of times reflection i
  has been measured).
  
  sum~i~ is taken over all reflections
  sum~j~ is taken over all observations of each reflection.
  
  Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct.
  Biol. 4, 269-275.
  Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst.
  30, 203-205.
  Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.

  The precision-indicating merging R factor value Rpim,
  for merging all intensities in a given shell.
  
  sum~i~ [1/(N~i~ - 1)]1/2^ sum~j~ | I~j~ - <I~i~> |
  Rpim = --------------------------------------------------
  sum~i~ ( sum~j~ I~j~ )
  
  I~j~   = the intensity of the jth observation of reflection i
  <I~i~> = the mean of the intensities of all observations of
  reflection i
  N~i~   = the redundancy (the number of times reflection i
  has been measured).
  
  sum~i~ is taken over all reflections
  sum~j~ is taken over all observations of each reflection.
  
  Ref: Diederichs, K. & Karplus, P. A. (1997). Nature Struct.
  Biol. 4, 269-275.
  Weiss, M. S. & Hilgenfeld, R. (1997). J. Appl. Cryst.
  30, 203-205.
  Weiss, M. S. (2001). J. Appl. Cryst. 34, 130-135.

_reflns.number_obs _reflns_shell.number_unique_all

  The number of reflections in the REFLN list (not the DIFFRN_REFLN
  list) classified as observed (see _reflns.observed_criterion).
  This number may contain Friedel-equivalent reflections according
  to the nature of the structure and the procedures used.

  The total number of measured reflections which are symmetry-
  unique after merging for this shell.

  The total number of measured reflections which are symmetry-
  unique after merging for this shell.

_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs

  The mean of the ratio of the intensities to their
  standard uncertainties, <I/sigma(I)>.

  The mean of the ratio of the intensities to their
  standard uncertainties of observed reflections
  (see _reflns.observed_criterion) in the resolution shell.
  
  _reflns_shell.pdbx_netI_over_sigmaI_obs =  <I/sigma(I)>

  The mean of the ratio of the intensities to their
  standard uncertainties of observed reflections
  (see _reflns.observed_criterion) in the resolution shell.
  
  _reflns_shell.pdbx_netI_over_sigmaI_obs =  <I/sigma(I)>

_reflns.percent_possible_obs _reflns_shell.percent_possible_all

  The percentage of geometrically possible reflections represented
  by reflections that satisfy the resolution limits established
  by _reflns.d_resolution_high and _reflns.d_resolution_low and
  the observation limit established by
  _reflns.observed_criterion.

  The percentage of geometrically possible reflections represented
  by all reflections measured for this shell.

  The percentage of geometrically possible reflections represented
  by all reflections measured for this shell.

_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy

  Overall redundancy for this data set.

  Redundancy for the current shell.

  Redundancy for the current shell.

_entry.id

_pdbx_database_status.recvd_initial_deposition_date

_refine.ls_d_res_low _refine.ls_d_res_high

_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free