Data quality metrics extracted from 3vk8.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 3VK8 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU RUH3R
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2008-08-15
Detector
_diffrn_detector.type
MAR scanner 345 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS (1.2; Axel T. Brunger; axel.brunger@yale.edu)
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}
39.737 121.617 80.836 90.00 95.54 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033201.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 35.000 35.000 2.070
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 4.310 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.133 0.077 0.370
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 96852 5215 3775
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.70 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.2 100.0 73.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.0 10.0 2.8
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3VK8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-11-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1998 / 0.2304
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS