1TR1

CRYSTAL STRUCTURE OF E96K MUTATED BETA-GLUCOSIDASE A FROM BACILLUS POLYMYXA, AN ENZYME WITH INCREASED THERMORESISTANCE

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	170
Detector technology	CCD
Collection date	1996-10
Spacegroup name	P 42 21 2
Unit cell lengths	205.030, 205.030, 155.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.21
Rwork	0.210
R-free	0.28200
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1bga
RMSD bond length	0.009
RMSD bond angle	1.560
Data reduction software	XDS
Data scaling software	XSCALA
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.102	0.190
Number of reflections	164213
<I/σ(I)>	12.7	2.8
Completeness [%]	98.4	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.3		pH 8.3