1SBG

AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMIDAZOLE-DERIVED PEPTIDE BOND REPLACEMENT. CRYSTALLOGRAPHIC AND PHARMACOKINETIC ANALYSIS

Experimental procedure

Spacegroup name	P 61
Unit cell lengths	63.400, 63.400, 83.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.188
RMSD bond length	0.018
RMSD bond angle	3.830
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.300 *
Rmerge	0.052 *
Total number of observations	36380 *
Number of reflections	8108 *
Completeness [%]	95.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	18-26 (%sat)
2	1	reservoir	acetate	200 (mM)