Data quality metrics extracted from 3cwx.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 3CWX 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 ID14-4
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID14-4
Temperature [K]
_diffrn.ambient_temp
100.
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-12-07
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97942, 0.97420, 0.97814
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHARP
Refinement
_software.classification
SHELXL-97
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
78.181 117.956 65.157 90.00 110.26 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979420.974200.97814 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 62.260 2.320
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.088 0.411
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 28577 4107
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.60 4.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.2 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.3 7.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3CWX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-04-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
62.3 - 2.300 Å
R
_refine.ls_R_factor_obs
0.2420
WARNING: no Rwork given
Rfree
_refine.ls_R_factor_R_free
0.2880
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD