Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 4ff2.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Experimental information for 4FF2 at RCSB, PDBe, PDBj

Experiment
Method _exptl.method	X-RAY DIFFRACTION The method used in the experiment.
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol	SINGLE WAVELENGTH SINGLE WAVELENGTH, LAUE, or MAD.
Source type _diffrn_source.source	SYNCHROTRON The general class of the radiation source.
Source details _diffrn_source.type	CHESS BEAMLINE F1 The make, model or name of the source of radiation.
Synchrotron site _diffrn_source.pdbx_synchrotron_site	CHESS Synchrotron site.
Beamline _diffrn_source.pdbx_synchrotron_beamline	F1 Synchrotron beamline.
Temperature [K] _diffrn.ambient_temp	100 The mean temperature in kelvins at which the intensities were measured.
Detector technology _diffrn_detector.detector	CCD The general class of the radiation detector.
Collection date _diffrn_detector.pdbx_collection_date	2010-07-07 The date of data collection.
Detector _diffrn_detector.type	ADSC QUANTUM 270 The make, model or name of the detector device used.
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list	0.918 Comma separated list of wavelengths or wavelength range.
Software
Data collection _software.classification	HKL-2000 The classification of the program according to its major function.
Data reduction _software.classification	HKL-2000 The classification of the program according to its major function.
Data scaling _software.classification	HKL-2000 The classification of the program according to its major function.
Phasing _software.classification	PHASER The classification of the program according to its major function.
Refinement _software.classification	PHENIX (phenix.refine: 1.7.1_743) The classification of the program according to its major function.
General information
Spacegroup name _symmetry.space_group_name_H-M	P 21 21 21 Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin symbol does not necessarily contain complete information about the symmetry and the space-group origin. If used, always supply the FULL symbol from International Tables for Crystallography Vol. A (2002) and indicate the origin and the setting if it is not implicit. If there is any doubt that the equivalent positions can be uniquely deduced from this symbol, specify the _symmetry_equiv.pos_as_xyz or _symmetry.space_group_name_Hall data items as well. Leave spaces between symbols referring to different axes.
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}	81.908 Unit-cell length a corresponding to the structure reported in angstroms. 111.437 Unit-cell length b corresponding to the structure reported in angstroms. 275.760 Unit-cell length c corresponding to the structure reported in angstroms. 90.0 Unit-cell angle alpha of the reported structure in degrees. 90.0 Unit-cell angle beta of the reported structure in degrees. 90.0 Unit-cell angle gamma of the reported structure in degrees.
Wavelength _diffrn_radiation_wavelength.wavelength	0.91800 The radiation wavelength in angstroms. Å

Data quality metrics	Overall
Low resolution limit [Å] _reflns.d_resolution_low	47.674 The largest value in angstroms for the interplanar spacings for the reflection data. This is called the lowest resolution.
High resolution limit [Å] _reflns.d_resolution_high	2.000 The smallest value in angstroms for the interplanar spacings for the reflection data. This is called the highest resolution.
Rmerge	-
Rmeas	-
Rpim	-
Total number of observations	-
Total number unique	-
<I/σ(I)>	-
Completeness [%] _reflns.percent_possible_obs	90.3 The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion.
Multiplicity _reflns.pdbx_redundancy	4.4 Overall redundancy for this data set.
CC(1/2)	-

Refinement
PDB entry ID _entry.id	4FF2
Deposition date _pdbx_database_status.recvd_initial_deposition_date	2012-05-30