1BIM

CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS

Experimental procedure

Spacegroup name	P 21 3
Unit cell lengths	142.900, 142.900, 142.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.800
R-factor	0.178
Rwork	0.178
RMSD bond length	0.017
RMSD bond angle	2.800
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	2.400 *
Rmerge	0.063 *
Completeness [%]	90.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *	23 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium citrate	50 (mM)
3	1	reservoir		0.6 (M)
4	1	reservoir	PEG3350	10 (%(w/v))