Data quality metrics extracted from 2xdq.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 2XDQ 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
SOLEIL BEAMLINE PROXIMA 1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-12-10
Detector
_diffrn_detector.type
ADSC CCD
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790, 0.9795
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELX (C D E)
Refinement
_software.classification
REFMAC (5.5.0088)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 63 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
192.095 192.095 132.504 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.910000.979000.97950 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 25.000 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.080 0.470
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 54878 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.00 3.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.3 8.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2XDQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-05-06
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
103.7 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2013 / 0.2569
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS
Starting model
_refine.pdbx_starting_model
NONE