1GUF

Enoyl thioester reductase from Candida tropicalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	92.170, 92.170, 225.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 2.250
R-factor	0.178
Rwork	0.178
R-free	0.21600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gu7
RMSD bond length	0.010
RMSD bond angle	23.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.013	0.402 *
Number of reflections	53552	5181 *
<I/σ(I)>	16.3	4.8
Completeness [%]	99.7	99.2
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.7 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)	pH7.0
3	1	drop		150 (mM)
4	1	reservoir	ammonium sulfate	2.0 (M)
5	1	reservoir	ADA/NaOH	0.1 (M)	pH6.5
6	1	reservoir		0.1 (M)