Data quality metrics extracted from 1hka.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 1HKA 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
NSLS BEAMLINE X9B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X9B
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1997-08-20
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9686, 0.9788, 0.9792, 0.9870
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
PHASES
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}
36.32 51.98 41.49 90.00 110.12 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.968600.978800.979200.98700 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.530
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
 0.050 0.340
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 23352 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 21.40 3.06
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.8 89.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.7 3.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1HKA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1998-09-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.500 Å
R
_refine.ls_R_factor_obs
0.1818
WARNING: neither Rwork nor Rfree given
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD