Data quality metrics extracted from 7cso.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 7CSO 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
SSRF BEAMLINE BL19U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL19U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-04-17
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97775
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
CRANK2
Refinement
_software.classification
PHENIX (1.18.2_3874)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 1 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
144.444 144.444 290.518 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97775 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.420 48.420 2.540
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.390 7.110 2.390
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.179 0.138 0.769
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.193 0.149 0.830
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 1862101 68988 301704
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 267055 10182 42812
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.95 13.43 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.7 98.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 6.8 7.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.987 0.985 0.822

Refinement
PDB entry ID
_entry.id
7CSO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-08-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.4 - 2.390 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1757 / 0.2041
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD