Data quality metrics extracted from 1vgf.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 1VGF 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
SPRING-8 BEAMLINE BL38B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL38B1
Temperature [K]
_diffrn.ambient_temp
133
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-04-18
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.92040, 0.9201, 0.9199, 0.9070
Software
Data collection
_software.classification
ADSC (QUANTUM)
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.0; 1998; Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
56.310 56.310 264.919 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.920400.920100.919900.90700 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 28.540 2.690
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.049 0.303
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 14033 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 12.50 10.33
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 99.9
Multiplicity 
_reflns.pdbx_redundancy
 34.9 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1VGF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-04-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.5 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2140 / 0.2680
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD