Data quality metrics extracted from 7ttx.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 7TTX 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
APS BEAMLINE 24-ID-E
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-E
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-07-18
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979110
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.32)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.18.2_3874)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
74.174 76.816 117.626 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97911 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 117.630 117.630 2.800
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.670 8.850 2.670
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.173 0.087 2.259
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.180 0.091 2.361
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.050 0.026 0.669
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 249834 6799 28449
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 19519 614 2433
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.80 25.10 0.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.9 98.2 94.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 12.8 11.1 11.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.996 0.481

Refinement
PDB entry ID
_entry.id
7TTX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-02-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
64.3 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2222 / 0.3211
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 7SD5