Data quality metrics extracted from 5vch.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 5VCH 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
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 21-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
21-ID-D
Temperature [K]
_diffrn.ambient_temp
105
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-07-17
Detector
_diffrn_detector.type
MARMOSAIC 300 mm CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9786
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
SHELXDE (SHELXC/D/E)
Refinement
_software.classification
PHENIX (1.11.1_2575: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
79.05 88.12 102.01 79.19 80.03 70.98
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97860 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.520 2.410
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.350 2.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.200 0.615
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.056 0.358
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 105309 7667
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 21.30 2.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 97.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 12.3 3.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
5VCH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-03-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
33.0 - 2.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2099 / 0.2349
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD