1XUJ

TRYPSIN-KETO-BABIM-ZN+2, PH 8.2

Experimental procedure

Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 31 2 1
Unit cell lengths	55.060, 55.060, 109.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.500 * - 1.920
R-factor	0.144
Rwork	0.144
R-free	0.17100
RMSD bond length	0.016
RMSD bond angle	26.800 *
Data reduction software	SADIE
Data scaling software	SAINT ((SIEMENS))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.010
High resolution limit [Å]		1.920
Rmerge	0.081
Total number of observations	55659 *
Number of reflections	13575
Completeness [%]	80.7	41.2
Redundancy	4.1

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 KETO-BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.