4JHL

Crystal Structure of of Axe2, an Acetylxylan Esterase from Geobacillus stearothermophilus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.954, 0.978
Spacegroup name	I 4 2 2
Unit cell lengths	110.301, 110.301, 213.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 1.700
R-factor	0.133
Rwork	0.131
R-free	0.16400
Structure solution method	SAD
RMSD bond length	0.025
RMSD bond angle	2.357
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.880
High resolution limit [Å]	1.700	1.700
Number of reflections	67992
<I/σ(I)>		8.3
Completeness [%]	98.7	98.72
Redundancy	8.2	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	1.0 - 1.4M K/Na-tartarate, 0.3M NaCl, 0.1M imidazole buffer, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K