Data quality metrics extracted from 1a2y.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 1A2Y at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
CHESS
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CHESS
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1997-07
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
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
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
130.667 61.212 57.425 90.00 119.14 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.92800 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 7.000 1.550
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.500 1.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.069 0.301
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 59595 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.4 30.1
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1A2Y
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-01-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
7.0 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2030 / 0.2510