1ELA

Analogous inhibitors of elastase do not always bind analogously

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	52.370, 57.710, 75.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.185
Rwork	0.185
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000 *
High resolution limit [Å]	1.800 *
Rmerge	0.058 *
Completeness [%]	86.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5 *		THE COMPLEX WAS CO-CRYSTALLIZED. THE CO-CRYSTALS WERE GROWN BY THE METHOD OF VAPOR DIFFUSION IN 40 MICROLITER DROPS CONTAINING 7MG/ML OF ELASTASE, 0.1 MILLIMOLAR TFA-LYS-PRO-ISO, 1.4 MILLIMOLAR SODIUM SULFATE AND 100 MILLIMOLAR ACETATE BUFFER AT PH 5.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	methanol	70 (%)
2	1	reservoir	acetate	30 (%)