Data quality metrics extracted from 3v4p.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 3V4P 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
APS BEAMLINE 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-12-06
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97945,0.97960,0.94957
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHARP
Refinement
_software.classification
PHENIX (phenix.refine: 1.7.1_743)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
137.78 122.74 158.14 90.00 115.38 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.006950.979450.979600.94957 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 3.299
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.150 3.150
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.089 0.915
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 82079 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.30 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 100.0
Multiplicity 
_reflns.pdbx_redundancy
 3.8 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3V4P
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-12-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.1 - 3.150 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2199 / 0.2514
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD