1FC4

2-AMINO-3-KETOBUTYRATE COA LIGASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-28
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	63.936, 98.659, 118.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.000
Rwork	0.151
R-free	0.21200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.000
Rmerge	0.054
Number of reflections	97661
<I/σ(I)>	16.9
Completeness [%]	99.7
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291	ammonium sulfate, glycerol, Na/K phosphate, DTT, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291	ammonium sulfate, glycerol, Na/K phosphate, DTT, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291	ammonium sulfate, glycerol, Na/K phosphate, DTT, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		0.2 (M)
4	1	drop	EDTA	1 (mM)
5	1	reservoir	ammonium sulfate	2.2 (M)
6	1	reservoir	glycerol	3.4 (%(w/v))
7	1	reservoir	sodium/potassium phosphate	0.1 (M)
8	1	reservoir	dithiothreitol	3 (mM)