Data quality metrics extracted from 4p0j.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 4P0J at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-07-18
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97934
Software
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (phenix.refine: 1.8.4_1496)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
41.414 41.549 50.841 97.89 102.26 118.46
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97934 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.210 29.210 2.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.290 8.890 2.290
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.083 0.025 0.584
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.083 0.025 0.584
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 22761 406 1492
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 11902 208 852
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 3.90 8.50 0.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.0 96.3 70.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 1.9 2.0 1.8
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4P0J
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-02-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.2 - 2.298 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2098 / 0.2389
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1md6