8B63
Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.762, 109.963, 94.326 |
| Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
| Resolution | 55.040 - 2.200 |
| R-factor | 0.22105 |
| Rwork | 0.219 |
| R-free | 0.25814 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iv7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.537 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.042 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 43178 | 3679 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.991 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MIB pH 4.0, 25% w/v PEG 1500 |
