8BO1
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.89260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.500, 132.169, 96.027 |
Unit cell angles | 90.00, 110.80, 90.00 |
Refinement procedure
Resolution | 48.240 - 2.501 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pav |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS (VERSION Feb 5, 2021 BUILT=20210323) |
Data scaling software | Aimless (Version 0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | BUSTER (2.10.3 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.240 | 2.701 |
High resolution limit [Å] | 2.501 | 2.501 |
Rmerge | 0.154 | 4.021 |
Rmeas | 0.157 | 4.087 |
Rpim | 0.029 | 0.734 |
Number of reflections | 45059 | 2239 |
<I/σ(I)> | 16.2 | 1 |
Completeness [%] | 93.7 | |
Redundancy | 28.6 | |
CC(1/2) | 1.000 | 0.575 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 26 % peg 3350, 26 % Glycerol, 30 mM LiSO4, 0.1M TrisHCl pH8.5, 3 % Dioxane, |