Data quality metrics extracted from 7qea.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 7QEA 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
DIAMOND BEAMLINE I24
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I24
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-06-22
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9999
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.7)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.16_3549)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
63.268 81.565 93.393 66.64 89.38 89.57
Wavelength
_diffrn_radiation_wavelength.wavelength
0.99990 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 74.880 74.880 2.400
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.280 7.210 2.280
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.095 0.045 0.876
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.124 0.058 1.151
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.079 0.036 0.737
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 171343 5068 25317
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 75860 2301 11114
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 3.80 9.30 0.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.0 93.1 97.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.3 2.2 2.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.992 0.993 0.452

Refinement
PDB entry ID
_entry.id
7QEA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-12-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
51.1 - 2.280 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1982 / 0.2523
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
7QE1