Data quality metrics extracted from 7u07.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 7U07 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SSRL BEAMLINE BL12-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-02-03
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97923, 0.95369, 0.97965
Software
Data reduction
_software.classification
XDS (vJan31, 2020)
Data scaling
_software.classification
XDS (vJan31, 2020)
Phasing
_software.classification
PHENIX (v1.19.2)
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
105.752 105.752 159.181 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979500.979230.953690.97965 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.000 40.000 2.140
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 5.700 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.453 0.073 6.216
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.455 0.073 6.261
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.042 0.007 0.736
Total number of observations 
_reflns.pdbx_number_measured_all
 6123676 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 52930 2898 2601
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 2.30 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 98.9 99.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 115.7 115.7 70.1
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 1.000 0.637

Refinement
PDB entry ID
_entry.id
7U07
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-02-17
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.5 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1343 / 0.1659
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD