Data quality metrics extracted from 7t5d.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 7T5D at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
SPALLATION SOURCE
Source details
_diffrn_source.type
ORNL Spallation Neutron Source BEAMLINE MANDI
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL Spallation Neutron Source
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MANDI
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
DIFFRACTOMETER
Collection date
_diffrn_detector.pdbx_collection_date
2018-11-15
Detector
_diffrn_detector.type
ORNL ANGER CAMERA
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.0-4.0
Software
Data reduction
_software.classification
Mantid
Data scaling
_software.classification
LaueView
Phasing
_software.classification
PHASER
Model building
_software.classification
Coot (0.8.9.2)
Refinement
_software.classification
PHENIX (1.14_3260)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
67.73 42.18 69.76 90.0 99.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.000004.00000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 14.791
High resolution limit [Å] 
_reflns.d_resolution_high
 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.185
Rmeas 
_reflns.pdbx_Rrim_I_all
 0.215
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 14168
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 7.15
Completeness [%] 
_reflns.percent_possible_obs
 91.2
Multiplicity 
_reflns.pdbx_redundancy
 3.2
CC(1/2) 
_reflns.pdbx_CC_half
 0.956

Refinement
PDB entry ID
_entry.id
7T5D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-12-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
14.8 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2286 / 0.3088
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5TKH