6O0S

Crystal structure of the tandem SAM domains from human SARM1

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	2013-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	94.610, 154.460, 121.882
Unit cell angles	90.00, 93.82, 90.00

Refinement procedure

Resolution	60.810 - 2.700
R-factor	0.206
Rwork	0.205
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.620
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((DEV_3357: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.550	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.091	0.778
Rmeas	0.113	0.936
Rpim	0.078	0.649
Number of reflections	47692
<I/σ(I)>	9	1.7
Completeness [%]	99.6	99.7
Redundancy	3.6	3.7
CC(1/2)	0.997	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10.7% w/v PEG 4000, 21.4% v/v glycerol, 30 mM MgCl2 and 0.1 M bicine/Trizma base pH 8.0