Data quality metrics extracted from 2aak.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 2AAK at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU
Temperature [K]
_diffrn.ambient_temp
295
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1992-01
Detector
_diffrn_detector.type
SIEMENS
Software
Data reduction
_software.classification
XENGEN
Data scaling
_software.classification
XENGEN
Phasing
_software.classification
X-PLOR (3.851)
Model building
_software.classification
X-PLOR (3.851)
Refinement
_software.classification
X-PLOR (3.851)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
41.8 44.9 83.2 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
100.000
High resolution limit [Å]
_reflns.d_resolution_high
2.400
Rmerge
_reflns.pdbx_Rsym_value
0.077
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
6377
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
97.9
Multiplicity
_reflns.pdbx_redundancy
6.3
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
2AAK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1997-11-06
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
100.0 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2210 / 0.2870
Structure solution method
_refine.pdbx_method_to_determine_struct
MULTIPLE ISOMORPHOUS REPLACEMENT