Data quality metrics extracted from 7p0h.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 7P0H 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
SOLEIL BEAMLINE PROXIMA 2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-06-10
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9794
Software
Data reduction
_software.classification
XDS (Nov 11, 2017)
Data scaling
_software.classification
STARANISO (1.10.9 (13-Dec-2017))
Phasing
_software.classification
PHASER (2.7.17)
Refinement
_software.classification
BUSTER (2.10.3 (20-MAY-2020))
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}
57.88 87.98 122.79 80.23 76.44 76.39
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97940 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.470 46.410 2.560
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.490 11.150 2.490
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.094 0.048 2.845
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.099 0.051 2.986
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.029 0.016 0.881
Total number of observations 
_reflns_shell.number_measured_all
 - 9133 57841
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 77488 865 5398
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 15.70 71.30 0.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.4 98.3 92.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.6 10.6 10.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.998 0.483

Refinement
PDB entry ID
_entry.id
7P0H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-06-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.5 - 2.499 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2209 / 0.2448
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD