Data quality metrics extracted from 7b82.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 7B82 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
ELETTRA BEAMLINE 11.2C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ELETTRA
Beamline
_diffrn_source.pdbx_synchrotron_beamline
11.2C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-10-15
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9718
Software
Data reduction
_software.classification
Aimless
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.11.1)
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}
37.399 34.769 37.575 90.00 92.28 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.550 37.550 1.270
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.250 6.850 1.250
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.066 0.053 0.748
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.072 0.059 0.832
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.029 0.024 0.358
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 162487 958 6416
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 26295 176 1229
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 11.60 27.10 1.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.0 96.9 94.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.2 5.4 5.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.997 0.802

Refinement
PDB entry ID
_entry.id
7B82
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-12-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.5 - 1.250 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1511 / 0.1805
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5MGJ