6S8W
Aromatic aminotransferase AroH (Aro8) form Aspergillus fumigatus in complex with PLP (internal aldimine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.209, 75.260, 121.631 |
| Unit cell angles | 84.77, 87.51, 65.37 |
Refinement procedure
| Resolution | 47.200 - 2.400 |
| R-factor | 0.248 |
| Rwork | 0.245 |
| R-free | 0.29350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4je5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.224 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.200 | 47.200 | 2.450 |
| High resolution limit [Å] | 2.400 | 12.240 | 2.400 |
| Rmerge | 0.109 | 0.088 | 0.781 |
| Rmeas | 0.127 | 0.105 | 0.904 |
| Rpim | 0.065 | 0.055 | 0.451 |
| Total number of observations | 1905 | 18179 | |
| Number of reflections | 78375 | 568 | 4542 |
| <I/σ(I)> | 6.3 | 13.1 | 1.4 |
| Completeness [%] | 97.2 | 93.4 | 97.5 |
| Redundancy | 3.8 | 3.4 | 4 |
| CC(1/2) | 0.992 | 0.980 | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 294 | Optimization of hit G4 of the Molecular Dimension Morpheus screen : 0.1M (Sodium formate; Ammonium acetate; Sodium citrate tribasic dihydrate; Potassium sodium tartrate tetrahydrate; Sodium oxamate); 50mM Imidazole; 50mMES monohydrate (acid); 13.7% v/v MPD; 13.7% PEG 1000; 13.7% w/v PEG 3350 |
