Data quality metrics extracted from 1i6k.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 1I6K at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MULTIPLE WAVELENGTHS
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
NSLS BEAMLINE X12C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12C
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1998-06-01
Detector
_diffrn_detector.type
BRANDEIS - B4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.978, 0.979, 0.985
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
BUSTER-TNT
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
59.77 59.77 232.65 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978000.979000.98500 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 25.000
High resolution limit [Å] 
_reflns.d_resolution_high
 1.720
Rmerge 
_reflns.pdbx_Rsym_value
 0.083
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 546675
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.10
Completeness [%] 
_reflns.percent_possible_obs
 94.5
Multiplicity 
_reflns.pdbx_redundancy
 4.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1I6K
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-03-02
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 1.720 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2330 / 0.2680
Structure solution method
_refine.pdbx_method_to_determine_struct
MULTIPLE ANOMALOUS Dispersion