Data quality metrics extracted from 4fqg.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 4FQG 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 22-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-BM
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-12-17
Detector
_diffrn_detector.type
MARMOSAIC 225 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9796
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement #1
_software.classification
PHENIX (1.7_650)
Refinement #2
_software.classification
REFMAC (5.5.0072)
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}
27.919 77.087 95.179 90.00 96.01 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000100.971900.979400.97960 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.030
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns_shell.Rmerge_I_obs
 - 0.134
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 26788 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 11.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 99.4
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 4.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4FQG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-06-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
24.8 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1892 / 0.2408
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD