9V5G
Crystal structure of the aromatic prenyltransferase AtaPT(M8) mutant from Aspergillus terreus in complex with DMSPP and KMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-28 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 71.710, 95.590, 137.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.105 - 2.500 |
| R-factor | 0.208152352097 |
| Rwork | 0.205 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.782 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.694 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 32697 | 3709 |
| <I/σ(I)> | 2.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.811 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 100 mM Bis-Tris Ph 6.5,200 mM (NH4)2SO4, 25% peg 3350 |
