4OAO

A mutant of Axe2 (R55A), and 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	2013-04-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	108.638, 108.638, 214.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 2.050
R-factor	0.13856
Rwork	0.137
R-free	0.16982
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w7v
RMSD bond length	0.021
RMSD bond angle	1.975
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]	38.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.118	0.426
Number of reflections	39198
Completeness [%]	100.0	100
Redundancy	13	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.2M potassium sodium tartrate, 0.1M imidazole buffer, pH 7.8, 0.3M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K