Data quality metrics extracted from 7tpo.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 7TPO 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
2021-05-18
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 (0.7.4)
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}
45.883 74.757 75.144 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978690.98062 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.850 1.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.350 1.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.161 0.890
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.173 0.978
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.064 0.396
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 57097 2769
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.00 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.3 98.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 13.2 11.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.987 0.902

Refinement
PDB entry ID
_entry.id
7TPO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-01-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.2 - 1.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1790 / 0.2030
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 6N4L