Data quality metrics extracted from 3ksi.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 3KSI at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PAL/PLS BEAMLINE 4A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
PAL/PLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-03-31
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2386
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
CNS (1.2)
Refinement
_software.classification
CNS (1.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
89.839 89.839 88.752 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.23860 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
50.000
High resolution limit [Å]
_reflns.d_resolution_high
1.700
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
23645
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
94.8
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3KSI
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-11-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.9 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2180 / 0.2400
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 1VHM