5ER2

High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme

Experimental procedure

Spacegroup name	P 1 21 1
Unit cell lengths	42.900, 75.800, 42.900
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.160
RMSD bond length	0.012
RMSD bond angle	0.056
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.800 *
Rmerge	0.050 *
Total number of observations	26706 *
Number of reflections	21985 *
Completeness [%]	89.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	4.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	2 (mg/ml)
2	1	1	acetate	0.1 (M)
3	1	2	ammonium sulfate	55 (%sat)
4	1	2	acetone