3ULK

E. coli Ketol-acid reductoisomerase in complex with NADPH and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9
Spacegroup name	P 64 2 2
Unit cell lengths	144.459, 144.459, 217.545
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.150 - 2.300
R-factor	0.1774
Rwork	0.174
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yrl
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.416
Number of reflections	59991
<I/σ(I)>	57.2	12.1
Completeness [%]	99.9	100
Redundancy	22

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.2M LiSO4, 0.1M Tris, 15% PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K