4RHH

Crystal structure of the catalytic mutant Xyn52B2-E335G, a GH52 Beta-D-xylosidase from Geobacillus stearothermophilus T6

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	2014-04-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	97.450, 119.080, 243.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.430 - 2.150
R-factor	0.15267
Rwork	0.150
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c1o
RMSD bond length	0.017
RMSD bond angle	1.821
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.430	2.206
High resolution limit [Å]	2.150	2.150
Rmerge	0.107
Number of reflections	151718
Completeness [%]	98.5	85.2
Redundancy	8.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3000, 0.2M Calcium acetate, 0.1M Tris buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K