1H3A

Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200B
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 32 2 1
Unit cell lengths	140.904, 140.904, 243.832
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 * - 2.800 *
R-factor	0.248
Rwork	0.248
R-free	0.27000
Structure solution method	OTHER
RMSD bond length	0.003
RMSD bond angle	0.710
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	2.800
Rmerge	0.113
Total number of observations	124813 *
Number of reflections	53006
<I/σ(I)>	4.9
Completeness [%]	78.0 *
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8	20 *	pH 4.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-8 (mg/ml)
2	1	reservoir	sodium citrate	50 (mM)	pH4.8
3	1	reservoir		50 (mM)
4	1	reservoir	PEG600	3-9 (%(v/v))
5	1	reservoir		0.3 (%(w/v))