3NYU
X-ray crystal structure of the Wbpe (WlbE) aminotransferase from pseudomonas aeruginosa as the PLP internal aldimine adduct with lysine 185
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.99187 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.628, 54.068, 150.903 |
| Unit cell angles | 84.26, 82.43, 64.93 |
Refinement procedure
| Resolution | 30.000 - 1.501 |
| R-factor | 0.18287 |
| Rwork | 0.181 |
| R-free | 0.21945 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nys |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.634 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 | 0.090 |
| Number of reflections | 200622 | |
| <I/σ(I)> | 44.2 | 10.2 |
| Completeness [%] | 93.0 | 87 |
| Redundancy | 2.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 25% pentaerythritol propoxylate, 100 mM MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
