Data quality metrics extracted from 1bo4.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 1BO4 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
CHESS BEAMLINE F2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CHESS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
F2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1998-05-15
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9793, 0.9703, 0.9668
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SHARP
Refinement
_software.classification
CNS (0.3C)
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}
78.54 102.26 50.14 90.00 93.73 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979300.970300.96680 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.052 0.093
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 16291 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.60 6.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 92.9 92.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.3 7.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1BO4
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-08-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2500
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD