1DLV

BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA IN COMPLEX WITH COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1999-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	84.818, 79.302, 149.979
Unit cell angles	90.00, 93.49, 90.00

Refinement procedure

Resolution	30.000 - 2.290
R-factor	0.242 *
Rwork	0.242
R-free	0.29300
RMSD bond length	0.019 *
RMSD bond angle	2.600 *
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.450
High resolution limit [Å]	2.290	2.290
Rmerge	0.127	0.274
Number of reflections	86956
<I/σ(I)>	13.7
Completeness [%]	93.0	95.7
Redundancy	4.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	AMMONIUM SULPHATE, LITHIUM SULPHATE, SODIUM ACETATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.9 (M)
2	1	reservoir	lithium sulfate	1 (M)
3	1	reservoir	sodium acetate	0.1 (M)
4	1	reservoir	dithiothreitol	1 (mM)
5	1	reservoir	sodium azide	1 (mM)
6	1	reservoir	EDTA	1 (mM)