1OSS

T190P STREPTOMYCES GRISEUS TRYPSIN IN COMPLEX WITH BENZAMIDINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-11-21
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	50.079, 69.601, 119.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 1.900 *
R-factor	0.167
Rwork	0.167
R-free	0.21200
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	1sgt
RMSD bond length	0.007
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900 *	1.930
Rmerge	0.031	0.056
Number of reflections	14471 *
Completeness [%]	89.7	79.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2 *	293	1.55 M AMMONIUM SULPHATE, 10 MM CALCIUM ACETATE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	ammonium sulfate	1.5 (M)
3	1	drop	calcium acetate	10 (mM)	pH6.2
4	1	reservoir	ammonium sulfate	1.55 (M)