2THI

THIAMINASE I FROM BACILLUS THIAMINOLYTICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	87.700, 120.500, 76.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.500 - 2.500
R-factor	0.195
Rwork	0.195
R-free	0.27500
Structure solution method	MIRAS
RMSD bond length	0.007 *
RMSD bond angle	1.270 *
Data scaling software	CCP4 ((SCALA))
Phasing software	CCP4
Refinement software	X-PLOR (3.842)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500
Rmerge	0.050 *
Number of reflections	23741
Completeness [%]	83.0
Redundancy	6.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)
3	1	drop	dithiothreitol	2 (mM)
4	1	drop	EDTA	2 (mM)
5	1	reservoir	ammonium sulfate	0.1-0.2 (M)
6	1	reservoir	sodium acetate	0.1 (M)
7	1	reservoir	PEG2000	26-32 (%)