2TIO

LOW PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-11-01
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	63.020, 63.780, 69.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.930
R-factor	0.179
Rwork	0.179
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1smf
RMSD bond length	0.006
RMSD bond angle	25.900 *
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.073
Total number of observations	71110 *
Number of reflections	18025
<I/σ(I)>	10.4	2.6
Completeness [%]	84.0	63
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8 *	22 *	HANGING DROP METHOD: THE PROTEIN WAS DISSOLVED IN 33 MM TRIS-HCL BUFFER (PH 5.8) IN THE PRESENCE OF 4 MM CACL2 AND 90 MM BENZAMIDINE TO THE CONCENTRATION 40 MG/ML. THE PRECIPITANT AND RESERVOIR SOLUTION CONTAINED 2.1 M (NH4)2SO4, 4 MM CACL2, 33 MM TRIS-HCL AT PH 6.0., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	45 (mg/ml)
2	1	drop	Tris-HCl	33 (mM)
3	1	drop		4 (mM)
4	1	reservoir	ammonium sulfate	2.1 (M)
5	1	reservoir		4 (mM)
6	1	reservoir	Tris-HCl	33 (mM)