6O1B

Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1

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	PIXEL
Collection date	2018-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	32.737, 54.138, 74.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.802 - 1.670
R-factor	0.1896
Rwork	0.185
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.222
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.880	1.700
High resolution limit [Å]	1.670	1.670
Rmerge	0.046	0.273
Rmeas	0.050	0.295
Rpim	0.019	0.111
Number of reflections	16080	792
<I/σ(I)>	19.6	4.9
Completeness [%]	99.9	99.1
Redundancy	7.1	6.9
CC(1/2)	0.999	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000