2F1F

Crystal structure of the regulatory subunit of acetohydroxyacid synthase isozyme III from E. coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97924, 0.97942, 0.93928
Spacegroup name	I 4
Unit cell lengths	98.600, 98.600, 80.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.174
Rwork	0.171
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.025
RMSD bond angle	2.118
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.541
Number of reflections	38313	2905
<I/σ(I)>	15.1	3.3
Completeness [%]	99.2	100
Redundancy	6.15	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	10-25 mg/ml protein in 0.5 M MgCl2, 1:1 mixed with reservoir made up of 30-40% PEG400, 0.4-0.6 M MgCl2, 100 mM Tris-HCl pH 8.5, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	8.5	293	10-25 mg/ml protein in 0.5 M MgCl2, 1:1 mixed with reservoir made up of 30-40% PEG400, 0.4-0.6 M MgCl2, 100 mM Tris-HCl pH 8.5, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	8.5	293	10-25 mg/ml protein in 0.5 M MgCl2, 1:1 mixed with reservoir made up of 30-40% PEG400, 0.4-0.6 M MgCl2, 100 mM Tris-HCl pH 8.5, VAPOR DIFFUSION, temperature 293K