6O0R

Crystal structure of the TIR domain from human SARM1 in complex with glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	33.056, 86.127, 116.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.060 - 1.800
R-factor	0.192
Rwork	0.189
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((DEV_3357: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.204	2.435
Rmeas	0.220	2.621
Rpim	0.081	0.963
Number of reflections	31910	1902
<I/σ(I)>	9.6	1
Completeness [%]	100.0	100
Redundancy	7.2	7.3
CC(1/2)	0.996	0.285

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350