Data quality metrics extracted from 6vzi.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 6VZI 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 22-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2018-10-13
Detector
_diffrn_detector.type
RAYONIX MX300-HS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14_3260)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 63
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
133.92 133.92 315.11 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.800
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.700 5.810 2.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.128 0.066 2.067
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.138 0.070 2.368
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.049 0.024 1.122
Total number of observations 
_reflns.pdbx_number_measured_all
 383837 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 53716 8493 1231
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.50 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 63.3 98.9 14.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.1 8.5 3.2
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.990 0.113

Refinement
PDB entry ID
_entry.id
6VZI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.8 - 2.716 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2294 / 0.2755
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6MTJ