1H36

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	141.513, 141.513, 244.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 * - 2.800
R-factor	0.221
Rwork	0.221
R-free	0.25800
Structure solution method	OTHER
RMSD bond length	0.004
RMSD bond angle	0.900
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	0.084
Total number of observations	148698 *
Number of reflections	57227
<I/σ(I)>	7.4
Completeness [%]	82.0 *
Redundancy	2.6

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))