5MT2

Glycoside hydrolase BT_0996

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	42.020, 78.565, 48.793
Unit cell angles	90.00, 108.36, 90.00

Refinement procedure

Resolution	46.310 - 1.410
R-factor	0.12977
Rwork	0.128
R-free	0.16629
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	xia2
Data scaling software	xia2
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.310	1.430
High resolution limit [Å]	1.410	1.410
Rmerge		0.620
Number of reflections	57609
<I/σ(I)>	25.1	1.6
Completeness [%]	99.5	93.5
Redundancy	98.3	81.7
CC(1/2)		0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % (w/v) PEG 8000, 0.1 M Tris pH 8.5