1A0C

XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	278
Detector technology	IMAGE PLATE
Collection date	1993-02
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	85.660, 153.730, 158.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.168
Rwork	0.168
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xia
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	IPMOSFLM
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]	10.000	2.630
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.185
Number of reflections	61292
<I/σ(I)>	7.6	3.8
Completeness [%]	83.6	73.6
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		PROTEIN IN 50 MM MOPS, 10 MM MGSO4, 1 MM COCL2, PH 7.0, WAS CRYSTALLIZED FROM 12% JEFFAMINE ED 4000, 50 MM MES, PH 6.0 (FOR DETAILS SEE REFERENCE 1).