9EGD
AclA from Tenacibaculum discolor in complex with intermediate formed by C8-Lysine attack on ADP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 204.122, 83.875, 162.948 |
| Unit cell angles | 90.00, 105.49, 90.00 |
Refinement procedure
| Resolution | 29.620 - 3.150 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.273 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.620 | 3.260 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.231 | 1.536 |
| Rmeas | 0.268 | 1.767 |
| Rpim | 0.134 | 0.867 |
| Number of reflections | 45960 | 4488 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.987 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | pH 7.0, DL-Malic Acid, PEG-3350, MgCl2 |
