Data quality metrics extracted from 6bms.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 6BMS 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
97
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-07-08
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9797
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
RESOLVE
Refinement
_software.classification
PHENIX (1.11.1_2575: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 42 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
186.402 186.402 90.177 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97970 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.440 2.440
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.122 1.176
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.130 1.339
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.042 0.618
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 58992 2697
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 1.37 1.37
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.5 92.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.1 9.1
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.225

Refinement
PDB entry ID
_entry.id
6BMS
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-11-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.2 - 2.441 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2325 / 0.2608
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD