Data quality metrics extracted from 7t4h.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 7T4H 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
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
2020-02-12
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97869, 0.98062
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (1.19.2-4158)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 2 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
45.820 74.754 74.801 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978690.98062 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.790 45.790 1.530
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.510 8.270 1.510
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.044 0.839
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.072 0.048 0.919
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.028 0.020 0.366
Total number of observations 
_reflns_shell.number_measured_obs
 - 1805 12216
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 40990 305 2047
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.50 41.80 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.6 99.6 98.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.5 5.9 6.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.997 0.842

Refinement
PDB entry ID
_entry.id
7T4H
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-12-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.4 - 1.510 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1670 / 0.1910
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 6N4L