Data quality metrics extracted from 4ifv.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 4IFV 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
NSLS BEAMLINE X25
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X25
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-12-20
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00
Software
Data collection
_software.classification
CBASS
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX (dev_1233)
Model building
_software.classification
PHENIX (phenix.refine: dev_1233)
Refinement
_software.classification
PHENIX (phenix.refine: dev_1233)
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}
162.062 72.818 108.973 90.00 100.43 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.917001.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.310 2.090
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.050 2.260 2.050
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.065 0.291 0.575
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 78296 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 20.05 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.8 99.8
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4IFV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-12-15
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.9 - 2.050 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1879 / 0.2190
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