4UUG
The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 144.449, 144.449, 96.112 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.250 - 1.600 |
| R-factor | 0.13448 |
| Rwork | 0.134 |
| R-free | 0.14811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4chi |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.680 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.280 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.060 | 0.670 |
| Number of reflections | 151504 | |
| <I/σ(I)> | 16.1 | 2.3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2.0 M SODIUM FORMATE, 0.1 M SODIUM ACETATE PH 4.6 |
