12JC
Crystal Structure of Putative L-amino Acid N-acyltransferase MnaT from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-20 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.467, 52.303, 59.012 |
| Unit cell angles | 90.00, 95.16, 90.00 |
Refinement procedure
| Resolution | 40.820 - 1.800 |
| R-factor | 0.1654 |
| Rwork | 0.164 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.877 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.099 | 0.327 |
| Rmeas | 0.376 | |
| Rpim | 0.108 | |
| Number of reflections | 28294 | 978 |
| <I/σ(I)> | 17.5 | 4 |
| Completeness [%] | 95.6 | 67.2 |
| Redundancy | 6.4 | 4.2 |
| CC(1/2) | 0.976 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M magnesium chloride, 0.1 M HEPES pH 7.5, 25 % (w/v) PEG3350 |
