Data quality metrics extracted from 3tp0.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.


Experimental information for 3TP0 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
  The method used in the experiment.
Source type
_diffrn_source.source
SYNCHROTRON
  The general class of the radiation source.
Source details
_diffrn_source.type
SLS BEAMLINE X06DA
  The make, model or name of the source of radiation.
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
  Synchrotron site.
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
  Synchrotron beamline.
Temperature [K]
_diffrn.ambient_temp
100
  The mean temperature in kelvins at which the intensities were
  measured.
Detector technology
_diffrn_detector.detector
CCD
  The general class of the radiation detector.
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
  The make, model or name of the detector device used.
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97625
  Comma separated list of wavelengths or wavelength range.
Software
Data collection
_software.classification
HKL-2000
  The classification of the program according to its
  major function.
Data reduction
_software.classification
MOSFLM
  The classification of the program according to its
  major function.
Data scaling
_software.classification
SCALA
  The classification of the program according to its
  major function.
Refinement
_software.classification
REFMAC (5.5.0109)
  The classification of the program according to its
  major function.
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
  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}
119.102
  Unit-cell length a corresponding to the structure reported in
  angstroms.
119.102
  Unit-cell length b corresponding to the structure reported in
  angstroms.
33.649
  Unit-cell length c corresponding to the structure reported in
  angstroms.
90.0
  Unit-cell angle alpha of the reported structure in degrees.
90.0
  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
0.97625
  The radiation wavelength in angstroms.
 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
42.110
  The largest value in angstroms for the interplanar spacings
  for the reflection data. This is called the lowest resolution.
High resolution limit [Å]
_reflns.d_resolution_high
1.900
  The smallest value in angstroms for the interplanar spacings
  for the reflection data. This is called the highest resolution.
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
  Total number unique -
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
98.7
  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.
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3TP0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-09-07