Data quality metrics extracted from 1a2q.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 1A2Q at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
ELLIOTT GX-21
Temperature [K]
_diffrn.ambient_temp
290
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1987-01-31
Detector
_diffrn_detector.type
SIEMENS
Software
Data collection
_software.classification
XENGEN
Data reduction
_software.classification
XENGEN
Data scaling
_software.classification
XENGEN
Model building
_software.classification
PROLSQ/PROFFT
Refinement #1
_software.classification
PROFFT
Refinement #2
_software.classification
PROLSQ
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}
41.64 79.45 37.26 90.00 114.53 90.00
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
1.750
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
14470
  <I/σ(I)> -
  Completeness [%] -
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1A2Q
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-01-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 1.800 Å
Rwork
_refine.ls_R_factor_R_work
0.1450
WARNING: no Rfree given (but Rwork)!?
Structure solution method
_refine.pdbx_method_to_determine_struct
DIFFERENCE MAP