9M09
Structure of TqaM from Penicillium aethiopicum in complex with substrate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-08 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.721, 100.575, 138.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.520 - 2.170 |
| R-factor | 0.1769 |
| Rwork | 0.175 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.483 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.520 | 2.220 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.108 | 0.881 |
| Number of reflections | 69036 | 4401 |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.9 |
| CC(1/2) | 0.998 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES buffer (pH 6.5) containing 2 M ammonium sulfate, 0.2 M sodium chloride |
