9EGC
AclA from Tenacibaculum discolor in complex with the C8-N-acyl cyclolysine reaction product (C8-ACL)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 204.374, 84.360, 164.527 |
| Unit cell angles | 90.00, 105.61, 90.00 |
Refinement procedure
| Resolution | 29.460 - 2.550 |
| R-factor | 0.1815 |
| Rwork | 0.179 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.019 |
| 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] | 29.460 | 2.600 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.132 | 1.610 |
| Rmeas | 0.146 | 1.789 |
| Rpim | 0.061 | 0.766 |
| Number of reflections | 88108 | 4482 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.3 | 5.2 |
| CC(1/2) | 0.997 | 0.504 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | DL-Malic Acid, PEG-3350, MgCl2 |
