Data quality metrics extracted from 7c96.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 7C96 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 BL17U
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-12-17
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791
Software
Data reduction
_software.classification
XSCALE
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
HKL2Map
Refinement
_software.classification
PHENIX (1.18_3861)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
69.547 69.547 153.480 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97910 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 28.760 28.760 2.660
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.510 7.320 2.510
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.079 0.043 0.970
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.083 0.045 1.027
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 153546 5165 20549
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 14060 529 2247
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 18.81 45.39 2.38
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 90.6 98.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 10.9 9.8 9.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.997 0.803

Refinement
PDB entry ID
_entry.id
7C96
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-06-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.8 - 2.510 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2351 / 0.2492
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD