7UXS

Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR

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	2022-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	46.194, 70.801, 121.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.870 - 1.570
R-factor	0.1497
Rwork	0.149
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lhx
RMSD bond length	0.008
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.160	1.590
High resolution limit [Å]	1.570	1.570
Rmerge	0.038	0.242
Rmeas	0.042	0.264
Rpim	0.016	0.102
Number of reflections	56724	2652
<I/σ(I)>	20.2	4.6
Completeness [%]	99.7	95.2
Redundancy	6.6	6.4
CC(1/2)	0.999	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris, pH 5.5, 0.1 M ammonium sulfate, 25-29% PEG3350