Data quality metrics extracted from 4fc1.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 4FC1 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
290.0
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2011-10-10
Detector
_diffrn_detector.type
HE3 POSITION SENSITIVE DETECTOR
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.7 - 6.0
Software
Data collection
_software.classification
PCS (home software)
Data reduction
_software.classification
d*TREK
Data scaling
_software.classification
LAUENORM
Phasing
_software.classification
CNS
Refinement #1
_software.classification
CNS
Refinement #2
_software.classification
nCNS
Refinement #3
_software.classification
SHELX
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}
22.795 18.826 41.042 90.00 90.89 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.700006.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 15.180 1.160
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 1.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.231 0.303
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 11122 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.50 1.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 78.8 65.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.8 2.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4FC1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-05-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 1.100 Å
R
_refine.ls_R_factor_obs
0.2110
WARNING: no Rwork given
Rfree
_refine.ls_R_factor_R_free
0.2530
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given