Data quality metrics extracted from 7e5c.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 7E5C 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 BL17U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-06-18
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97918
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.6.2)
Phasing
_software.classification
MOLREP
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}
182.965 182.965 372.079 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97918 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 67.450 67.360 2.340
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.220 7.010 2.220
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.130 0.077 1.130
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.134 0.079 1.161
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.030 0.018 0.262
Total number of observations 
_reflns_shell.number_measured_all
 - 72511 261315
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 111133 3942 13827
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 15.90 34.30 2.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.9 99.6 80.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 20.1 18.4 18.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.998 0.902

Refinement
PDB entry ID
_entry.id
7E5C
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-02-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
67.5 - 2.220 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2030 / 0.2347
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6AH8