1N9G

Mitochondrial 2-enoyl thioester reductase Etr1p/Etr2p heterodimer from Candida tropicalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-28
Detector	MARRESEARCH
Wavelength(s)	1.0760
Spacegroup name	C 1 2 1
Unit cell lengths	229.453, 95.501, 164.229
Unit cell angles	90.00, 124.71, 90.00

Refinement procedure

Resolution	19.430 - 1.980
R-factor	0.19731
Rwork	0.195
R-free	0.23480 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gu7
RMSD bond length	0.013 *
RMSD bond angle	1.460 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.430 *	2.086
High resolution limit [Å]	1.980	1.980
Rmerge	0.051 *	0.348 *
Number of reflections	212894
Completeness [%]	97.5 *	95.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	ammonium sulfate, ADA/NaOH, NADPH, octanoyl-CoA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	ammonium sulfate	1.8 (M)
3	1	reservoir	ADA	0.1 (M)	pH7.0