1HTG

X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	59.300, 87.400, 46.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.19
Rwork	0.190
RMSD bond length	0.016
RMSD bond angle	3.000
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.074 *
Number of reflections	14219 *
Completeness [%]	88.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)	with a 10-fold molar excess of inhibitor
2	1	reservoir	ammonium sulfate	250-500 (mM)
3	1	reservoir	MES	50 (mM)	can be replaced with acetate buffer