3NYT
X-ray crystal structure of the WlbE (WpbE) aminotransferase from pseudomonas aeruginosa, mutation K185A, in complex with the PLP external aldimine adduct with UDP-3-amino-2-N-acetyl-glucuronic acid, at 1.3 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.684, 92.170, 75.652 |
| Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.301 |
| R-factor | 0.19097 |
| Rwork | 0.190 |
| R-free | 0.21626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nys |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.180 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.051 | 0.330 |
| Number of reflections | 90696 | |
| <I/σ(I)> | 15.8 | 3 |
| Completeness [%] | 97.7 | 86.1 |
| Redundancy | 5.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 25% pentaerythritol propoxylate, 100 mM MES, 50mM UDP-3-amino-20N-acetyl-glucuronic acid, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
