4PKC

Benzylsuccinate alpha-gamma complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	154.864, 154.864, 82.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.972 - 2.600
R-factor	0.2212
Rwork	0.217
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pkf
RMSD bond length	0.002
RMSD bond angle	0.567
Refinement software	PHENIX ((phenix.refine: 1.9_1678))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	30845
<I/σ(I)>	10.7	1.052
Completeness [%]	98.3	86.6
Redundancy	7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	1:1 protein (~10 mg/mL in 20 mM HEPES, pH 7.5, 100 mM sodium chloride) to well solution (20-25% PEG400, 50 mM Tris, pH 8.0, 50 mM Bis-Tris, pH 6.5), diffraction-quality crystals typically grew within 1 week, cryoprotectant: brief soak in 30% PEG400 + the same buffer