Data quality metrics extracted from 4wun.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 4WUN 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX2
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2013-04-21
Detector
_diffrn_detector.type
MAR scanner 345 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
Aimless
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0071)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
65.486 50.517 201.280 90.00 91.23 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.953701.54180 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.680
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 1.650
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 79263 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 9.10 4.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 96.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.3 4.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4WUN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-11-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.650 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2251 / 0.2468
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4NK9