Data quality metrics extracted from 3kmf.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 3KMF 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
LANSCE BEAMLINE PCS
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
LANSCE
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PCS
Temperature [K]
_diffrn.ambient_temp
298.0
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2007-11-25
Detector
_diffrn_detector.type
TIME-OF-FLIGHT MULTIWIRE HE3
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.6-7.0
Software
Data collection
_software.classification
PCS (software)
Data reduction
_software.classification
d*TREK (MODIFIED FOR NEUTRON)
Data scaling
_software.classification
LAUENORM (MODIFIED FOR NEUTRON)
Phasing
_software.classification
nCNS
Refinement
_software.classification
nCNS
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}
63.79 84.45 54.35 90.00 99.33 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.600007.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 53.700 2.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.203 0.339
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 33302 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 4.30 1.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 86.7 74.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.1 2.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3KMF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-11-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2500 / 0.3000
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2DXM