8W0U

Human LCAD complexed with Acetoacetyl Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-01-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	86.028, 95.265, 118.826
Unit cell angles	90.00, 106.52, 90.00

Refinement procedure

Resolution	38.960 - 2.800
R-factor	0.225
Rwork	0.225
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.092	0.026	0.793
Total number of observations	309146
Number of reflections	45139	4687	4365
<I/σ(I)>	11.7
Completeness [%]	98.6	99.7	95.8
Redundancy	6.8	7.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	291	TrisHCl, PEG5000MME, NaCl, MgCl2, beta-octyl-b-D-glucoside