1BV7

COUNTERACTING HIV-1 PROTEASE DRUG RESISTANCE: STRUCTURAL ANALYSIS OF MUTANT PROTEASES COMPLEXED WITH XV638 AND SD146, CYCLIC UREA AMIDES WITH BROAD SPECIFICITIES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	287
Spacegroup name	P 61
Unit cell lengths	62.800, 62.800, 83.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.196
Rwork	0.196
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	3.100
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.000
Rmerge	0.092 *
Total number of observations	36747 *
Number of reflections	12347
Completeness [%]	97.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	18 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1 (mg/ml)
2	1	drop	acetate	250 (mM)
3	1	drop	ammonium sulfate	80-240 (mM)
4	1	drop	inhibitor		1000-fold molar excess