4OAP

An Axe2 mutant (W190I), an acetyl-xylooligosaccharide esterase from Geobacillus Stearmophilus

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	2012-09-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	109.950, 109.950, 213.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.790 - 1.930
R-factor	0.14794
Rwork	0.146
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w7v
RMSD bond length	0.022
RMSD bond angle	2.099
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.082
Number of reflections	46932
Completeness [%]	100.0	100
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.4M potassium sodium tartrate, 0.1M imidazole buffer, pH 7.8, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K