1GW9

Tri-iodide derivative of Xylose Isomerase from Streptomyces Rubiginosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-12-15
Detector	MAR scanner 345 mm plate
Spacegroup name	I 2 2 2
Unit cell lengths	92.354, 98.540, 102.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.050 - 1.550
R-factor	0.165
Rwork	0.164
R-free	0.18800
Structure solution method	OTHER
RMSD bond length	0.018 *
RMSD bond angle	1.619 *
Data reduction software	d*TREK
Data scaling software	SCALA
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.110 *	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.065	0.264
Number of reflections	1257016
<I/σ(I)>	8.4	2.7
Completeness [%]	98.6	96.3
Redundancy	18.8	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		1.8M AMMONIUM SULPHATE, 10MM TRIS-HCL AT PH7.5 AND THEN SOAKED IN AN EQUIVALENT SOLUTION WITH 50MM KI/50MM I2 AND 1.9M L-XYLOSE ADDED AS CRYO-PROTECTANT., pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	ammonium sulfate	0.9 (M)
3	1	drop	Tris-HCl	10 (mM)	pH7.5
4	1	reservoir	ammonium sulfate	1.8 (M)
5	1	reservoir	Tris-HCl	10 (mM)	pH7.5