Data quality metrics extracted from 1key.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 1KEY at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
NSLS BEAMLINE X12B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2000-10-16
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9794
Software
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
DM
Model building
_software.classification
DM
Refinement
_software.classification
CNS (1.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
97.246 135.457 91.228 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541800.97940 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.650
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 34219
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 95.3
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1KEY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-11-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.650 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2470 / 0.2900
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD