Data quality metrics extracted from 8vtt.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 8VTT 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 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2021-11-09
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97976
Software
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing
_software.classification
PHENIX
Refinement #1
_software.classification
PHENIX (1.20.1_4487)
Refinement #2
_software.classification
PHENIX (1.20.1_4487)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 1 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
77.757 77.757 213.298 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97976 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.450 6.650 2.450
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.181 0.073 1.277
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.188 0.076 1.400
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.052 0.021 0.556
Total number of observations 
_reflns.pdbx_number_measured_all
 330178 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 27646 1471 1360
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.20 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.6 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.9 13.2 6.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.996 0.479

Refinement
PDB entry ID
_entry.id
8VTT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2024-01-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.9 - 2.450 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2149 / 0.2569
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS