4JJ4

Crystal structure of a catalytic mutant of Axe2 (Axe2-D191A), an acetylxylan esterase from Geobacillus stearothermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.954
Spacegroup name	I 4 2 2
Unit cell lengths	109.961, 109.961, 212.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.070 - 2.130
R-factor	0.1604
Rwork	0.158
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.862
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.188
High resolution limit [Å]	2.130	2.130
Number of reflections	34314
Completeness [%]	94.1	94.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.0- 1.4 M K/Na tartrate, 0.3 M NaCl, 0.1 M imidazole buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K