Data quality metrics extracted from 4f2f.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 4F2F 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
113
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-19
Detector
_diffrn_detector.type
RIGAKU RAXIS IV++
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54178
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX
Model building
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (phenix.refine: 1.7.1_743)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
35.455 37.329 69.294 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.377571.54178 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 1.480
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.450 3.940 1.450
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.035 0.023 0.363
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 16813 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 43.00 48.70 6.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.1 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.4 11.8 10.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
4F2F
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-05-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.6 - 1.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2134 / 0.2430
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD