1GYR

Mutant form of enoyl thioester reductase from Candida tropicalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	156.015, 104.139, 93.952
Unit cell angles	90.00, 99.77, 90.00

Refinement procedure

Resolution	19.960 - 2.600
R-factor	0.19539
Rwork	0.193
R-free	0.24600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gu7
RMSD bond length	0.061 *
RMSD bond angle	1.600 *
Data scaling software	XDS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.062 *	0.194
Number of reflections	44923	4364 *
<I/σ(I)>	17.9	6.9
Completeness [%]	98.4	90.3
Redundancy	4.8	4.4

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	reservoir	ammonium sulfate	1.9 (M)
2	1	reservoir	ADA/NaOH	0.1 (M)	pH7.0
3	1	drop	protein	15 (mg/ml)