5HF7

TDG enzyme-substrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	97.030, 52.750, 81.340
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	32.510 - 1.540
R-factor	0.1872
Rwork	0.186
R-free	0.21430
RMSD bond length	0.010
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Refinement software	BUSTER (2.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.510	1.570
High resolution limit [Å]	1.540	1.540
<I/σ(I)>		0.5
Completeness [%]		94.7
Redundancy		4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.2 M Ammonium chloride, 20% PEG 3350