1S9C

Crystal structure analysis of the 2-enoyl-CoA hydratase 2 domain of human peroxisomal multifunctional enzyme type 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-06-28
Detector	MARRESEARCH
Wavelength(s)	0.9090
Spacegroup name	P 1 21 1
Unit cell lengths	98.295, 105.431, 206.944
Unit cell angles	90.00, 103.37, 90.00

Refinement procedure

Resolution	30.000 - 3.000
Rwork	0.229
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pn2
RMSD bond length	0.009
RMSD bond angle	1.409
Data reduction software	DENZO
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.200
High resolution limit [Å]	2.990	2.990
Rmerge	0.096	0.230
Number of reflections	77386
<I/σ(I)>	14.2	4.6
Completeness [%]	93.7	70.2
Redundancy	3.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG 10000, HEPES, MnCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG 10000, HEPES, MnCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K