Data quality metrics extracted from 5urz.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 5URZ 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
ALS BEAMLINE 5.0.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.2
Temperature [K]
_diffrn.ambient_temp
93
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-09-19
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.99999
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.9_1692)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
123.051 123.051 46.870 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.99999 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
50.000
High resolution limit [Å]
_reflns.d_resolution_high
2.200
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
20901
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
25.40
Completeness [%]
_reflns.percent_possible_obs
99.9
Multiplicity
_reflns.pdbx_redundancy
10.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5URZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-02-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.6 - 2.202 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1796 / 0.2236