Data quality metrics extracted from 2ayq.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 2AYQ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-18B
Temperature [K]
_diffrn.ambient_temp
290
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1995-05
Software
Data reduction
_software.classification
WEIS
Data scaling
_software.classification
CCP4
Phasing
_software.classification
AMoRE
Refinement
_software.classification
X-PLOR (3.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
114.4 114.4 194.9 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
100.000
High resolution limit [Å]
_reflns.d_resolution_high
3.000
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.054
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
25540
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
84.5
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
2AYQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-02-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1800 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 1IPD