1YXM

Crystal structure of peroxisomal trans 2-enoyl CoA reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.11
Spacegroup name	P 21 21 21
Unit cell lengths	78.152, 119.014, 119.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 1.900
R-factor	0.20621
Rwork	0.204
R-free	0.24459
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vl8
RMSD bond length	0.016
RMSD bond angle	1.676
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	2.060
High resolution limit [Å]	1.900	1.900
Number of reflections	88511
<I/σ(I)>	42	3
Completeness [%]	98.3	96.9
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	Ammonium sulphate, Sodium chloride, Sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K