Data quality metrics extracted from 4nfn.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 4NFN 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
APS BEAMLINE 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-11-08
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
AMoRE
Refinement #1
_software.classification
BUSTER-TNT (BUSTER 2.11.4; Gerard Bricogne; buster-develop@GlobalPhasing.com)
Refinement #2
_software.classification
BUSTER (2.11.4)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
169.49 39.91 50.53 90.00 105.34 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 38.770 1.500
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.420 1.420
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.041 0.375
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 60739 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.00 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.5 98.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.3 3.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4NFN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-10-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
32.2 - 1.420 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1850 / 0.2087
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB ENTRY 4NFM