1XUG

TRYPSIN-BABIM-ZN+2, PH 8.2

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	63.720, 63.500, 68.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.500 * - 1.500
R-factor	0.206
Rwork	0.206
R-free	0.22600
RMSD bond length	0.017
RMSD bond angle	26.100 *
Data reduction software	bioteX ((MSC))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.570
High resolution limit [Å]	1.340	1.500
Rmerge	0.088
Total number of observations	97610 *
Number of reflections	37542
Completeness [%]	73.6	46.8
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.2		SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.