Data quality metrics extracted from 6naf.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 6NAF at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
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
ORNL High Flux Isotope Reactor BEAMLINE CG4D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL High Flux Isotope Reactor
Beamline
_diffrn_source.pdbx_synchrotron_beamline
CG4D
Temperature [K]
_diffrn.ambient_temp
298
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2018-06-12
Detector
_diffrn_detector.type
MAATEL IMAGINE
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2.8-4.5
Software
Data reduction
_software.classification
LAUEGEN
Data scaling
_software.classification
LSCALE
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.10.1_2155: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 63
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
50.61 50.61 68.82 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541702.800004.50000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 68.820
High resolution limit [Å] 
_reflns.d_resolution_high
 1.920
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.090
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 7655
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 23.20
Completeness [%] 
_reflns.percent_possible_obs
 100.0
Multiplicity 
_reflns.pdbx_redundancy
 17.8
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
6NAF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-12-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
27.1 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2771 / 0.3179
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 6N9H