Data quality metrics extracted from 3cxb.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 3CXB 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
BSRF BEAMLINE 3W1A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
BSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
3W1A
Temperature [K]
_diffrn.ambient_temp
100
Collection date
_diffrn_detector.pdbx_collection_date
2006-10-28
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793, 0.9792, 0.9641
Software
Data collection
_software.classification
MAR345dtb
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
91.690 110.679 45.533 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541800.979300.979200.96410 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 100.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.048
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 14191
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.40
Completeness [%] 
_reflns.percent_possible_obs
 95.3
Multiplicity 
_reflns.pdbx_redundancy
 14.3
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3CXB
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-04-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2582 / 0.2877
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD