6XXY

Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with O-isobutenyl oxalylhydroxamate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	93.15
Detector technology	CCD
Collection date	2007-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.976
Spacegroup name	P 63
Unit cell lengths	116.936, 116.936, 92.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.490 - 2.090
R-factor	0.1821
Rwork	0.182
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a05
RMSD bond length	0.008
RMSD bond angle	1.034
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.490	2.390
High resolution limit [Å]	2.090	2.090
Rmerge	0.037	0.204
Rmeas	0.053
Number of reflections	41922	3733
<I/σ(I)>	12.75	4.59
Completeness [%]	98.5
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2 M (NH4)2SO4, 0.1 M Na-citrate pH 5.5 and 5% 2-propanol.