Data quality metrics extracted from 8h7c.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 8H7C 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
PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-5A
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-11-18
Detector
_diffrn_detector.type
DECTRIS PILATUS3 S 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.073, 1.069, 1.045
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
REFMAC (5.8.0135)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.986 61.468 128.991 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.073001.069001.04500 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.190
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.150 5.830 2.150
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.075 0.035 0.500
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.078 0.037 0.532
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.022 0.011 0.174
Total number of observations 
_reflns.pdbx_number_measured_all
 119496 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 10257 612 375
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.50 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.5 100.0 71.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.7 11.8 7.8
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 1.000 0.922

Refinement
PDB entry ID
_entry.id
8H7C
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-10-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
50.0 - 2.150 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2327 / 0.2704
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD