Data quality metrics extracted from 1bun.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 1BUN at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1992-06
Detector
_diffrn_detector.type
XUONG-HAMLIN MULTIWIRE
Software
Phasing
_software.classification
X-PLOR
Model building
_software.classification
X-PLOR
Refinement
_software.classification
X-PLOR
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.6 52.6 177.5 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
10.000
High resolution limit [Å]
_reflns.d_resolution_high
2.450
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.069
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
9372
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
96.4
Multiplicity
_reflns.pdbx_redundancy
3.2
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1BUN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1995-10-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
5.0 - 2.450 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1930 / 0.2810