Data quality metrics extracted from 7yji.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 7YJI 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
2015-10-25
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97931
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA (3.3.22)
Phasing
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.14_3260)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 4 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
93.66 93.66 136.26 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97931 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 77.185 77.185 2.210
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 6.640 2.100
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.157 0.078 1.126
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.162 0.081 1.163
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.041 0.022 0.289
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 268633 9246 41671
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 17123 658 2590
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 12.30 6.60 0.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.7 99.9 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 15.7 14.1 16.1
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
7YJI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-07-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.3 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1821 / 0.2333
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD