1A0D

XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	1993-02
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	86.290, 141.850, 160.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.193
Rwork	0.193
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xia
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	CCP4
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]	33.000	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.100	0.230
Number of reflections	35985
<I/σ(I)>	7.1	3.1
Completeness [%]	89.6	62.2
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		VAPOR DIFFUSION FROM HANGING DROPS (18 DEG C): PROTEIN (A280 22) WAS IN 50 MM TRIS, 10 MM MNCL2, PH 7.5; RESERVOIR SOLUTION WAS 10% PEG, 100 MM LICL, 100 MM MES, PH 6.3; DROPS WERE FORMED FROM EQUAL PARTS OF PROTEIN AND RESERVOIR SOLUTIONS., pH 6.5, vapor diffusion - hanging drop