1PSA

STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR

Experimental procedure

Spacegroup name	P 1 1 21
Unit cell lengths	54.100, 74.400, 76.500
Unit cell angles	90.00, 90.00, 100.80

Refinement procedure

Resolution	8.000 - 2.900
R-factor	0.139 *
Rwork	0.139
RMSD bond length	0.014
RMSD bond angle	3.170
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	3.000 *
High resolution limit [Å]	2.900 *
Rmerge	0.044 *
Total number of observations	24379 *
Number of reflections	11951 *
Completeness [%]	87.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	2 *		taken from Andreeva, N.S. et al (1984). J. Biol. Chem., 259, 11353-11365. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	20 (mg/ml)
2	1	1	ethanol	20 (%)
3	1	1	sulfuric acid	2.5 (M)