Data quality metrics extracted from 6tae.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 6TAE at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ILL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
LADI III
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2017-10-30
Detector
_diffrn_detector.type
RIGAKU SATURN 944+
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54
Software
Refinement
_software.classification
PHENIX (1.7.3_928)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 42 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.904 82.904 75.868 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.870003.400001.54000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 36.680 2.300 1.940
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.100 0.200 0.700
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 10136 1238 1422
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 5.90 - -
Completeness [%] 
_reflns.percent_possible_obs
 77.5 - -
Multiplicity 
_reflns.pdbx_redundancy
 3.3 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
6TAE
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-10-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.1 - 2.222 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2763 / 0.3076
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5JPR