Data quality metrics extracted from 1kyt.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 1KYT at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 19-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-BM
Temperature [K]
_diffrn.ambient_temp
150
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-11-26
Detector
_diffrn_detector.type
SBC-1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96411, 0.97939, 0.9795
Software
Data collection
_software.classification
HKL-2000
Data reduction #1
_software.classification
CrystalClear (D*STREK (MSC/RIGAKU))
Data reduction #2
_software.classification
HKL-2000
Data scaling #1
_software.classification
d*TREK
Data scaling #2
_software.classification
SCALEPACK
Phasing
_software.classification
CNS
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.526 99.316 113.886 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.071900.964110.979390.97950 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 43.140 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.074 0.244
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 53243 4407
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.40 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 81.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.5 2.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1KYT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-02-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
43.1 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2240 / 0.2460
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD