Data quality metrics extracted from 7a2x.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 7A2X 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
ALBA BEAMLINE XALOC
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALBA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
XALOC
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-09-30
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.31)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.18.2-3874)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
32.897 33.100 62.624 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97920 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 17.660 17.660 0.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 0.920 2.920 0.920
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.066 0.527
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.069 0.068 0.553
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.014 0.015 0.160
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 1048999 37216 59469
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 46882 1677 6128
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 33.00 108.90 5.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.2 99.7 89.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 22.4 22.2 9.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.999 0.908

Refinement
PDB entry ID
_entry.id
7A2X
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-08-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
17.7 - 0.920 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1299 / 0.1483
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
3UA6