8TUK

Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97946
Spacegroup name	P 1 21 1
Unit cell lengths	35.880, 51.599, 81.927
Unit cell angles	90.00, 91.44, 90.00

Refinement procedure

Resolution	3.440 - 1.150
R-factor	0.1466
Rwork	0.146
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.871
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	3.440	1.220
High resolution limit [Å]	1.150	1.150
Number of reflections	101451	13759
<I/σ(I)>	6.5	5
Completeness [%]	95.7	80.8
Redundancy	6.5	5
CC(1/2)	0.999	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	15% MPEG 2K, 200 mM, 200 mM I/M pH 5.0. 2.5% KCl (saturated), 0.6% BME. For cryo protection, crystals for about 2 seconds in 15% MPEG 2K, 200 mM I/M pH 5.0, 2.5% KCl (saturated), 60% ethylene glycol was mixed 1:2 (cryo:reservoir)