Data quality metrics extracted from 1bnq.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 1BNQ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU RUH2R
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1993-06
Detector
_diffrn_detector.type
SIEMENS
Software
Data reduction
_software.classification
BUDDHA
Data scaling
_software.classification
PROTEIN
Phasing
_software.classification
X-PLOR (3.1)
Model building
_software.classification
X-PLOR (3.1)
Refinement
_software.classification
X-PLOR (3.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
42.7 41.7 73.0 90.0 104.6 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
6.500
High resolution limit [Å]
_reflns.d_resolution_high
2.400
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.102
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
7686
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
77.5
Multiplicity
_reflns.pdbx_redundancy
2.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1BNQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-07-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
6.5 - 2.400 Å
R
_refine.ls_R_factor_obs
0.1430
Rwork
_refine.ls_R_factor_R_work
0.1430
WARNING: no Rfree given?
Structure solution method
_refine.pdbx_method_to_determine_struct
OTHER
Starting model
_refine.pdbx_starting_model
1CBA