8BJJ
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion
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 | 2020-12-06 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.186, 63.202, 93.455 |
| Unit cell angles | 90.00, 91.04, 90.00 |
Refinement procedure
| Resolution | 44.200 - 1.699 |
| R-factor | 0.1761 |
| Rwork | 0.175 |
| R-free | 0.19490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pav |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200417) |
| 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] | 44.200 | 1.730 |
| High resolution limit [Å] | 1.699 | 1.700 |
| Rmerge | 0.057 | 1.055 |
| Number of reflections | 104207 | 5211 |
| <I/σ(I)> | 25.3 | 2.7 |
| Completeness [%] | 99.8 | |
| Redundancy | 15.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 30% peg3000 0.3M LiSO4 0.1M Tris pH8.5 3% Dioxane |
