1A0E

XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1994-06
Detector	ENRAF-NONIUS FAST
Spacegroup name	C 2 2 21
Unit cell lengths	161.790, 121.870, 98.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.500 - 2.700
R-factor	0.18
Rwork	0.180
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	MADNES
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.500	2.880
High resolution limit [Å]	2.700	2.700
Rmerge	0.076	0.158
Number of reflections	26137
<I/σ(I)>	7.1	4.3
Completeness [%]	96.3	93.9
Redundancy	2.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		PROTEIN WAS CRYSTALLIZED FROM 14% JEFFAMINE ED 4000, 5 MM MGSO4, 0.5 MM COCL2, 50 MM MOPS, PH 7.0 (FOR DETAILS SEE REFERENCE 1).