Data quality metrics extracted from 7ara.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 7ARA 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 I04
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I04
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-02-01
Detector
_diffrn_detector.type
DECTRIS EIGER2 X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9795
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (v1.17.1-3660)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
74.647 74.647 160.831 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97950 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 64.646 64.646 2.546
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.243 8.188 2.243
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.188 0.050 2.074
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.194 0.052 2.131
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.044 0.013 0.484
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 232197 10517 11545
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12111 604 608
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 12.90 38.30 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.3 99.8 80.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 19.2 17.4 19.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.998 0.583

Refinement
PDB entry ID
_entry.id
7ARA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-10-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
60.0 - 2.243 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2142 / 0.2572
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2HRV