Data quality metrics extracted from 1nkt.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 1NKT 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 14-BM-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14-BM-D
Temperature [K]
_diffrn.ambient_temp
173
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-12-23
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9611, 0.9797, 0.98, 1.00348
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.1.25)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 62 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
206.050 206.050 292.857 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033200.961100.979700.980001.00348 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 95.350 2.490
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 2.400
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.089 0.483
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 139810 13803
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.1 98.2
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1NKT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2003-01-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
95.3 - 2.601 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2132 / 0.2650
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD