9WF1
PLP and 1-Boc-2-methyl-piperidin-5-one complex structure of an (R)-selective omega-transaminase from Ancylobacter lacus
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.830, 72.450, 84.320 |
| Unit cell angles | 74.64, 85.69, 69.92 |
Refinement procedure
| Resolution | 23.390 - 1.930 |
| R-factor | 0.1883 |
| Rwork | 0.188 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.975 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.390 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 102179 | 5085 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 96.3 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.982 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293.15 | 0.05M Magnesium chloride hexahydrate, 0.1M MES, 5%w/v PEG4000, 10% 2-Propanol |
