1HIH

COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1993-08
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	52.000, 59.300, 61.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.144
RMSD bond length	0.012
RMSD bond angle	1.420 *
Data reduction software	MADNES
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.057	0.226 *
Total number of observations	30789 *
Number of reflections	10082
Completeness [%]	99.4
Redundancy	3.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	2 (mg/ml)
2	1	drop	dimethylsulfoxide	10 (mg/ml)
3	1	drop	ammonium sulfate	15-30 (%sat)
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	ammonium sulfate	15-30 (%sat)