Data quality metrics extracted from 5tus.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 5TUS 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
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-12-05
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.8.0155)
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}
69.516 114.282 220.361 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 110.180
High resolution limit [Å] 
_reflns.d_resolution_high
 2.660
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 48650
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.00
Completeness [%] 
_reflns.percent_possible_obs
 98.7
Multiplicity 
_reflns.pdbx_redundancy
 5.4
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5TUS
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-11-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
110.2 - 2.660 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1991 / 0.2497