5LY7
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.140, 66.930, 74.060 |
| Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
| Resolution | 73.230 - 3.100 |
| R-factor | 0.22069 |
| Rwork | 0.217 |
| R-free | 0.29090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Crystallographic structure of NagZ from Pseudomonas aeruginosa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.509 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.230 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.182 | 0.405 |
| Number of reflections | 10753 | |
| <I/σ(I)> | 4.2 | 2.2 |
| Completeness [%] | 93.1 | 92.7 |
| Redundancy | 2.2 | 2.1 |
| CC(1/2) | 0.929 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 30% PEG 8000, 100 mM Sodium Cacodylate pH 6.0, 200 mM Sodium Acetate pH 6.0 |
