4O5M

X-ray Crystal Structure of Isovaleryl-CoA Dehydrogenase from Brucella suis

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	2013-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	82.210, 91.070, 102.140
Unit cell angles	90.00, 99.25, 90.00

Refinement procedure

Resolution	46.282 - 2.200
R-factor	0.202
Rwork	0.200
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.713
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.036	0.011	0.532
Number of reflections	74678	861	5486
<I/σ(I)>	26.87	96.57	2.7
Completeness [%]	98.7	95.8	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.4 uL protein at 17.53 mg/ml + 0.4 uL JCSG+ D10 - 40% PEG 300, 0.2 M Calcium acetate, 0.1 sodium cacodylate, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K