5G2M
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.317, 74.550, 76.032 |
| Unit cell angles | 90.00, 110.28, 90.00 |
Refinement procedure
| Resolution | 45.441 - 3.000 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.26530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO STRUCTURE OF NAGZ FROM PSEUDOMONAS AERUGINOSA |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.565 |
| 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] | 47.330 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.110 | 0.580 |
| Number of reflections | 13847 | |
| <I/σ(I)> | 6 | 1.6 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.3 | 3.3 |
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 |
