Data quality metrics extracted from 1gkt.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 1GKT at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
ILL BEAMLINE LADI
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ILL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
LADI
Temperature [K]
_diffrn.ambient_temp
293.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1999-11-01
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.7-3.6
Software
Data reduction
_software.classification
LAUEGEN
Data scaling
_software.classification
SCALA
Refinement
_software.classification
SHELXL-97
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
43.1 75.7 42.9 90.0 97.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.700003.60000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.200
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.075 0.119
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 13548 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.40 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 85.0 72.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.4 2.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1GKT
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-08-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.100 Å
R
_refine.ls_R_factor_obs
0.2350
WARNING: no Rwork given
Rfree
_refine.ls_R_factor_R_free
0.2740