1DIF

HIV-1 PROTEASE IN COMPLEX WITH A DIFLUOROKETONE CONTAINING INHIBITOR A79285

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	52.000, 59.900, 62.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.198
Rwork	0.198
RMSD bond length	0.017
RMSD bond angle	29.100 *
Data reduction software	MOSFLM
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	1.700 *
Rmerge	0.092 *
Total number of observations	40709 *
Number of reflections	20479
Completeness [%]	94.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.2 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protease	8 (mg/ml)
2	1	drop	sodium acetate	50 (mM)
3	1	drop	dithiothreitol	10 (mM)
4	1	reservoir	ammonium sulfate	37 (%(w/v))
5	1	reservoir	citrate	63 (mM)
6	1	reservoir	sodium phosphate	126 (mM)
7	1	reservoir	beta-mercaptoethanol	1 (M)
8	1	reservoir	dimethyl sulfoxide
9	1	reservoir	isopropanol