8UW6
Acetylornithine deacetylase from Escherichia coli, di-zinc form.
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 | 2023-10-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.399, 126.323, 123.408 |
| Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
| Resolution | 48.540 - 1.800 |
| R-factor | 0.16493 |
| Rwork | 0.163 |
| R-free | 0.20330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.480 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.540 | 48.540 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.119 | 0.043 | 1.001 |
| Rmeas | 0.132 | 0.049 | 1.111 |
| Rpim | 0.057 | 0.022 | 0.478 |
| Number of reflections | 144787 | 7473 | 7089 |
| <I/σ(I)> | 5.4 | 1.24 | |
| Completeness [%] | 97.6 | 98.7 | 96.5 |
| Redundancy | 5.4 | 5 | 5.3 |
| CC(1/2) | 0.995 | 0.998 | 0.462 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M lithium sulfate, 0.1 M Tris buffer, 25% PEG 3350 |
