1XUK

TRYPSIN-BABIM-SULFATE, PH 5.9

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	54.800, 58.700, 67.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 * - 1.870 *
R-factor	0.13
Rwork	0.130
R-free	0.17100
RMSD bond length	0.015
RMSD bond angle	26.300 *
Data reduction software	MSC
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.950
High resolution limit [Å]		1.870
Rmerge	0.079
Total number of observations	43750 *
Number of reflections	12500
Completeness [%]	63.7	33.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.9		SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M MES ADJUSTED TO PH 5.9; SATURATED IN BABIM, COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL.