Data quality metrics extracted from 4xpv.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 4XPV at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
LANSCE BEAMLINE PCS
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LANSCE
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PCS
Temperature [K]
_diffrn.ambient_temp
290
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2013-03-12
Detector
_diffrn_detector.type
CUSTOM-MADE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.7-6.0
Software
Data reduction
_software.classification
SCALEPACK
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX
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}
49.194 60.287 70.520 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.540000.700006.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.110 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 2.000 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.071 0.369 0.468
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 22851 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 13.40 1.60 2.80
Completeness [%] 
_reflns.percent_possible_obs
 96.2 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.0 2.0 3.8
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4XPV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-01-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2640 / 0.3040
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1RX2