4P8B

CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RALSTONIA EUTROPHA H16 (H16_A1328), TARGET EFI-510189, WITH BOUND (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-21
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	H 3
Unit cell lengths	140.193, 140.193, 38.579
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.494 - 1.300
R-factor	0.1549
Rwork	0.154
R-free	0.17420
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.246
Data scaling software	Aimless (0.1.27)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.470	40.470	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.101	0.085	0.838
Rpim	0.031	0.029	0.275
Total number of observations	761899	3741	33527
Number of reflections	68680
<I/σ(I)>	15.9	36.3	2.9
Completeness [%]	98.8	89.3	96.6
Redundancy	11.1	9.8	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (35.72 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.1 M HEPES pH 7.0, 30 %(v/v) Jeffamine ED-2001 pH 7.0); Cryoprotection (Reservoir, Pause 5 secs in air, prior to vitrification in liquid nitrogen)