Data quality metrics extracted from 7yjt.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 7YJT 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
2019-01-19
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97915
Software
Data reduction
_software.classification
autoPROC
Data scaling #1
_software.classification
Aimless (1.20.1_4487)
Data scaling #2
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.20.1_4487)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
47.230 84.614 81.901 90.0 98.6 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97915 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 80.980 9.980 1.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.870 5.910 1.870
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.124 0.053 0.951
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.136 0.058 0.990
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.055 0.023 0.397
Total number of observations 
_reflns.pdbx_number_measured_all
 338709 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 52617 1716 7665
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.20 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.6 99.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.4 6.3 6.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.997 0.901

Refinement
PDB entry ID
_entry.id
7YJT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-07-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.4 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1930 / 0.2542
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD