Data quality metrics extracted from 1wiw.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 1WIW at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SPRING-8 BEAMLINE BL26B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL26B1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-03-18
Detector
_diffrn_detector.type
RIGAKU JUPITER 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97902, 0.90000, 0.97932
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.1)
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}
51.405 92.075 116.079 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979020.900000.97932 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.840 2.070
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.088 -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns_shell.number_unique_all
 - 23008
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs
 99.9 -
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1WIW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-05-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
38.5 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1950 / 0.2350
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD