5G5K
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.224, 67.607, 74.064 |
| Unit cell angles | 90.00, 97.83, 90.00 |
Refinement procedure
| Resolution | 41.289 - 3.100 |
| R-factor | 0.2401 |
| Rwork | 0.239 |
| R-free | 0.28380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO STRUCTURE OF NAGZ FROM PSEUDOMONAS AERUGINOSA |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.280 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.110 | 0.550 |
| Number of reflections | 11501 | |
| <I/σ(I)> | 5.7 | 1.4 |
| Completeness [%] | 97.9 | 99.9 |
| Redundancy | 2.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 30% PEG 8000 100 MM SODIUM CACODYLATE PH 6.0 200 MM SODIUM ACETATE PH 6.0 |
