1TPS

ATOMIC STRUCTURE OF THE TRYPSIN-A90720A COMPLEX: A UNIFIED APPROACH TO STRUCTURE AND FUNCTION

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	63.740, 63.550, 69.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.162
Rwork	0.162
R-free	0.19700
RMSD bond length	0.010
RMSD bond angle	24.500 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Rmerge	0.056 *
Number of reflections	21586
Completeness [%]	94.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	4 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	bovine trypsin	12 (mg/ml)
2	1	drop	Tris-HCl	50.0 (mM)
3	1	drop	A90720A		10-fold molar excess in methanol
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir	sodium chloride	0.1 (M)
6	1	reservoir	HEPES	0.1 (M)