Data quality metrics extracted from 1k6d.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 1K6D 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-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-01-28
Detector
_diffrn_detector.type
SBC-2
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97936,0.97950,1.008
Software
Data reduction #1
_software.classification
HKL-2000
Data reduction #2
_software.classification
d*TREK
Data scaling #1
_software.classification
d*TREK
Data scaling #2
_software.classification
HKL-2000
Phasing #1
_software.classification
SnB
Phasing #2
_software.classification
SHARP
Model building
_software.classification
ARP/wARP
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 62
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.496 88.496 105.080 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979340.979360.979501.00800 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.970
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.900 1.900
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.078 0.677
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 36818 3693
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 28.50 3.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.0 5.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1K6D
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-10-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
36.0 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2350
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD