Data quality metrics extracted from 2wys.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 2WYS 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-07-22
Detector
_diffrn_detector.type
ADSC CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791, 0.9793, 0.9756
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHELX (SOLVE RESOLVE)
Refinement
_software.classification
REFMAC (5.5.0102)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
173.700 173.700 135.325 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.979300.97560 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 100.500
High resolution limit [Å] 
_reflns.d_resolution_high
 2.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.190
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 61428
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 13.00
Completeness [%] 
_reflns.percent_possible_obs
 100.0
Multiplicity 
_reflns.pdbx_redundancy
 9.6
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
2WYS
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-11-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
86.8 - 2.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1852 / 0.2363
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD
Starting model
_refine.pdbx_starting_model
NONE