Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Experiment
Method _exptl.method	X-RAY DIFFRACTION The method used in the experiment.
General information
Spacegroup name _symmetry.space_group_name_H-M	C 1 2 1 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.
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	132.4 Unit-cell length a corresponding to the structure reported in angstroms. 97.9 Unit-cell length b corresponding to the structure reported in angstroms. 81.6 Unit-cell length c corresponding to the structure reported in angstroms. 90.0 Unit-cell angle alpha of the reported structure in degrees. 114.3 Unit-cell angle beta of the reported structure in degrees. 90.0 Unit-cell angle gamma of the reported structure in degrees.
Wavelength _diffrn_radiation_wavelength.wavelength	NA

Method

_exptl.method

X-RAY DIFFRACTION

  The method used in the experiment.

Spacegroup name

_symmetry.space_group_name_H-M

C 1 2 1

  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.

Unit cell parameters

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

132.4

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

97.9

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

81.6

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

90.0

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

114.3

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

90.0

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

Wavelength

_diffrn_radiation_wavelength.wavelength

Refinement
PDB entry ID _entry.id	3GPD
Deposition date _pdbx_database_status.recvd_initial_deposition_date	1983-06-20
Rwork _refine.ls_R_factor_R_work	0.3300 WARNING: no Rfree given (but Rwork)!?

PDB entry ID

_entry.id

Deposition date

_pdbx_database_status.recvd_initial_deposition_date

Rwork

_refine.ls_R_factor_R_work