3W7V

Crystal Structure of Axe2, 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	MAR CCD 130 mm
Wavelength(s)	0.954
Spacegroup name	I 4 2 2
Unit cell lengths	109.832, 109.832, 213.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 1.850
R-factor	0.1426
Rwork	0.141
R-free	0.17720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jhl
RMSD bond length	0.022
RMSD bond angle	2.139
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.7.0029)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.880
High resolution limit [Å]	1.850	5.010	1.850
Rmerge	0.070	0.020	0.611
Number of reflections	55865
<I/σ(I)>	10.8
Completeness [%]	100.0	100	100
Redundancy	9.8	9.2	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.0M-1.4M K/Na tartrate, 0.3M NaCl, 0.1M imidazole buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K