1HVH

NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS

Experimental procedure

Spacegroup name	P 61
Unit cell lengths	63.220, 63.220, 83.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	? - 1.800
R-factor	0.188
Rwork	0.188
Starting model (for MR)	1hvr
RMSD bond length	0.013
RMSD bond angle	2.600
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	1.800 *
Rmerge	0.080 *
Total number of observations	69844 *
Number of reflections	16515 *
Completeness [%]	90.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		18 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protease	1 (mg/ml)
2	1	drop	acetate	250 (mM)
3	1	drop	ammonium sulfate	100 (mM)
4	1	drop	inhibitor		5000-fold molar excess over the Ki value of the inhibitor