Data quality metrics extracted from 6vlh.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 6VLH 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-08-20
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
PHENIX
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.13_2998-000)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.306 46.306 139.148 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.96000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.380 2.090
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.036 2.036
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.055 0.438
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.059 0.472
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.021 0.172
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 18621 1287
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 23.80 5.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 93.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.0 7.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6VLH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-01-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.3 - 2.036 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2095 / 0.2981
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS