8BJH

chimera of the inactive ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, with the double mutation K3528M and K3535I, fused to a proline-Rich-Domain (PRD) and profilin, bound to Latrunculin B-ADP-Mg-actin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	81.739, 62.825, 93.581
Unit cell angles	90.00, 91.03, 90.00

Refinement procedure

Resolution	93.570 - 1.690
R-factor	0.1799
Rwork	0.178
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pav
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS (Version Feb 5, 2021)
Data scaling software	Aimless (Version 0.7.4)
Phasing software	PHASER (Version 2.8.3)
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.570	1.850
High resolution limit [Å]	1.690	1.690
Rmerge	0.081	0.910
Number of reflections	81375	1539
<I/σ(I)>	11.2	1.7
Completeness [%]	94.9	60.1
Redundancy	6.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG4000 0.2M LISO4 0.1M TRIS PH8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K