Data quality metrics extracted from 1bhq.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 1BHQ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
SIEMENS
Temperature [K]
_diffrn.ambient_temp
287
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1994-08
Detector
_diffrn_detector.type
SIEMENS
Software
Data reduction
_software.classification
XENGEN
Data scaling
_software.classification
XENGEN
Refinement
_software.classification
PROLSQ
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}
48.42 122.39 75.36 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
10.000
High resolution limit [Å]
_reflns.d_resolution_high
2.700
Rmerge
_reflns.pdbx_Rsym_value
0.097
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
7424
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
10.60
Completeness [%]
_reflns.percent_possible_obs
43.9
Multiplicity
_reflns.pdbx_redundancy
3.1
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1BHQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-06-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 2.700 Å
R
_refine.ls_R_factor_obs
0.1750
Rwork
_refine.ls_R_factor_R_work
0.1750
WARNING: no Rfree given?
Structure solution method
_refine.pdbx_method_to_determine_struct
ISOMORPHOUS TO KNOWN PDB ENTRY 1IDN
Starting model
_refine.pdbx_starting_model
CD11B I DOMAIN METAL FREE PDB ENTRY 1IDN