Data quality metrics extracted from 3beh.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 3BEH at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
NSLS BEAMLINE X29A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X29A
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-09-15
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.08
Software
Data scaling
_software.classification
XSCALE
Refinement
_software.classification
REFMAC (refmac_5.2.0019 24/04/2001; Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
282.73 282.73 105.46 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.08000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
48.450 3.180
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
3.100 3.100
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
56604 -
  <I/σ(I)> - -
  Completeness [%] - -
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3BEH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-11-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 3.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2760 / 0.2860