1DLU

UNLIGANDED BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA

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	1999-07-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	84.712, 79.726, 150.477
Unit cell angles	90.00, 93.07, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.212 *
Rwork	0.212
R-free	0.26300
RMSD bond length	0.020 *
RMSD bond angle	3.200 *
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.250	2.210
Rmerge	0.090	0.204
Number of reflections	93668
<I/σ(I)>	14.1
Completeness [%]	98.3	89.5
Redundancy	4.2	2

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)