5KDA
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and genistein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.650, 136.080, 68.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.800 - 2.000 |
| R-factor | 0.19095 |
| Rwork | 0.188 |
| R-free | 0.23772 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kcg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.884 |
| Data scaling software | SCALA (3.321) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.800 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 52312 | |
| <I/σ(I)> | 7 | |
| Completeness [%] | 88.9 | |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.1 M Bis-Tris pH 6.0, 0.2 M (NH4)2SO4, 17% PEG 3350, 3.3% DDM |
