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 |