1XUH

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

Experimental procedure

Detector technology	AREA DETECTOR
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 31 2 1
Unit cell lengths	54.990, 54.990, 109.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.500 * - 2.370 *
R-factor	0.135
Rwork	0.135
R-free	0.18800
RMSD bond length	0.018
RMSD bond angle	27.000 *
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]	7.500 *	2.470
High resolution limit [Å]	2.370 *	2.370
Rmerge	0.128
Total number of observations	15007 *
Number of reflections	7146
Completeness [%]	76.4	47.1
Redundancy	2.1

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 CO+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.