Data quality metrics extracted from 6vmt.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 6VMT 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
ALS BEAMLINE 8.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-03-11
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.95373,0.97962,0.97949
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
MoRDa
Refinement
_software.classification
REFMAC (5.8.0258)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
115.386 115.386 58.628 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.953730.979620.97949 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 25.296 25.296 2.600
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.500 9.010 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.114 0.074 6.236
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.122 0.078 6.752
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.040 0.025 2.424
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 4643 122 306
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 11.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 87.8 95.2 53.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.9 8.9 6.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.999 0.264

Refinement
PDB entry ID
_entry.id
6VMT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-01-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.3 - 2.501 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2223 / 0.2727
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6IQO