Data quality metrics extracted from 4p9r.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 4P9R at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SLS BEAMLINE X06DA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06DA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-02-25
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.10530, 1.10564, 1.09553, 1.11525
Software
Refinement
_software.classification
PHENIX (phenix.refine: 1.8.4_1496)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
59.44 86.26 109.78 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.105301.105641.095531.11525 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 48.900
High resolution limit [Å] 
_reflns.d_resolution_high
 2.700
  Rmerge -
  Rmeas -
  Rpim -
Total number of observations 
_reflns.pdbx_number_measured_all
 207712
Total number unique 
_reflns.number_obs
 29825
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 12.38
Completeness [%] 
_reflns.percent_possible_obs
 99.9
Multiplicity 
_reflns.pdbx_redundancy
 7.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4P9R
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-04-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.9 - 2.703 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2099 / 0.2564
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD