Data quality metrics extracted from 8tt8.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 8TT8 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
ORNL High Flux Isotope Reactor BEAMLINE CG4D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL High Flux Isotope Reactor
Beamline
_diffrn_source.pdbx_synchrotron_beamline
CG4D
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2017-06-12
Detector
_diffrn_detector.type
MAATEL IMAGINE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.8-4.5
Software
Refinement
_software.classification
PHENIX (1.19.2_4158)
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}
68.613 69.231 89.185 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541482.800004.50000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 54.690 2.590 1.780
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.750 2.500 1.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.086 0.349 0.586
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.101 0.398 0.649
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.044 0.181 0.310
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 43601 964 2366
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.40 2.20 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 67.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.7 3.4 4.6
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.988 0.679 0.770

Refinement
PDB entry ID
_entry.id
8TT8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2023-08-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
17.6 - 2.530 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2189 / 0.2705
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS