2CW6

Crystal Structure of Human HMG-CoA Lyase: Insights into Catalysis and the Molecular Basis for Hydroxymethylglutaric Aciduria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	196.990, 117.080, 86.830
Unit cell angles	90.00, 112.50, 90.00

Refinement procedure

Resolution	30.440 - 2.100
R-factor	0.226
Rwork	0.226
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.440	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	103975
<I/σ(I)>	11.8	2.1
Completeness [%]	98.2
Redundancy	5.4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	PEG8000, HEPEG8000, HEPES buffer, MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K