4RJI

Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-19
Detector	RAYONIX MX-225
Wavelength(s)	0.9184
Spacegroup name	P 41 21 2
Unit cell lengths	140.647, 140.647, 238.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.664 - 3.200
R-factor	0.1901
Rwork	0.187
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ozf
RMSD bond length	0.005
RMSD bond angle	0.888
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.390
High resolution limit [Å]	3.200	3.200
Number of reflections	40142
Completeness [%]	99.5	98.9
Redundancy	7.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	30 % (v/v) polyethylene glycol 300, 200 mM Ca acetate, 100 mM Na cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K