4PKF

Benzylsuccinate synthase alpha-beta-gamma complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	113.424, 120.421, 136.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.532 - 2.002
R-factor	0.1313
Rwork	0.129
R-free	0.17700
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.318
Refinement software	PHENIX ((phenix.refine: 1.9_1678))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.084	0.290
Number of reflections	62251
<I/σ(I)>	21.4	9.6
Completeness [%]	99.2	87.7
Redundancy	14.3	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	2:1 protein (~8 mg/mL in 50 mM Tris, pH 7.6, 15% glycerol, 200 mM sodium chloride) to well solution (25% PEG3350, 100 mM Tris, pH 8.5, 200 mM NH4 ammonium acetate, diffraction-quality crystals typically appeared after 1-2 weeks