2SAM

STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	62.700, 32.200, 96.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.400
R-factor	0.19
Rwork	0.190
RMSD bond length	0.014
RMSD bond angle	3.200
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.400 *	2.250 *
Rmerge	0.054 *
Total number of observations	21880 *
Number of reflections	8824 *
Completeness [%]	92.0 *	77 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *		using macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein		4ml
2	1	drop		4-6 (%sat)
3	1	drop	sodium cacodylate	100 (mM)
4	1	reservoir		4-6 (%sat)
5	1	reservoir	sodium cacodylate	100 (mM)