Data quality metrics extracted from 3wrw.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 3WRW 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 BL38B1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL38B1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-07-21
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9788, 0.9792, 0.9639
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
AutoSol
Refinement
_software.classification
REFMAC (5.6.0117)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
77.97 105.28 110.62 94.56 109.27 107.99
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978800.979200.96390 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.640 2.860
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.710 2.710
Rmerge 
_reflns_shell.Rmerge_I_obs
 - 0.237
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 79784 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 3.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.0 95.5
Multiplicity 
_reflns_shell.pdbx_redundancy
 - 2.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3WRW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2014-02-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.6 - 2.710 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2071 / 0.2778
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD