1DM3

ACETYLATED BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA IN COMPLEX WITH ACETYL-COA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1999-06-30
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	84.384, 78.846, 149.729
Unit cell angles	90.00, 93.51, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.214 *
Rwork	0.214
R-free	0.25600
RMSD bond length	0.017
RMSD bond angle	2.400
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.000	2.030
Rmerge	0.068	0.220
Number of reflections	126823
<I/σ(I)>	10.3
Completeness [%]	96.0	94.5
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	0.9 M Ammonium sulfate, 1 M lithium sulfate, 0,1 M sodium acetate, 1 mM DTT, 1mM EDTA, 1mM sodium azide, 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)