Data quality metrics extracted from 4lqj.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 4LQJ 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
ELETTRA BEAMLINE 5.2R
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ELETTRA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.2R
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-05-03
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.99999, 1.72202, 1.75866
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.7.0029)
General information
Spacegroup name
_symmetry.space_group_name_H-M
F 4 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
184.548 184.548 184.548 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.999991.722021.75866 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.140 46.140 1.260
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.200 3.790 1.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.064 0.034 0.409
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 83387 2918 11909
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.30 44.00 4.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 99.1 99.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.2 9.3 8.9
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4LQJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-07-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.1 - 1.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1357 / 0.1449
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
pdb entry 3KA3