8BR1
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 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.116, 132.443, 96.396 |
Unit cell angles | 90.00, 110.57, 90.00 |
Refinement procedure
Resolution | 47.760 - 2.044 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pav |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
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] | 47.760 | 2.210 |
High resolution limit [Å] | 2.044 | 2.044 |
Rmerge | 0.162 | 3.852 |
Number of reflections | 86495 | 4319 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 84.3 | 28.5 |
Redundancy | 32.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 26 % peg 3350, 26 % Glycerol, 30 mM LiSO4, 0.1M TrisHCl pH8.5, 3 % Dioxane, |