Data quality metrics extracted from 7x9q.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 7X9Q 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 BL19U1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL19U1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-11-01
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979183
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.7)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.19_4092)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
33.649 54.502 101.943 90.0 98.4 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97918 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 47.950 47.950 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 8.980 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.082 0.058 0.644
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.102 0.074 0.786
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.059 0.044 0.445
Total number of observations 
_reflns_shell.number_measured_all
 - 357 2131
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12879 141 737
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.80 19.60 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.8 94.4 99.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.8 2.5 2.9
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.984 0.650

Refinement
PDB entry ID
_entry.id
7X9Q
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-03-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
33.1 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2135 / 0.2674
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
6UKM