8X3Y
ThDP-dependent HKA synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 96.383, 108.873, 110.757 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.190 - 2.150 |
| Rwork | 0.156 |
| R-free | 0.18460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.100 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.170 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.086 | |
| Rpim | 0.499 | |
| Number of reflections | 63888 | 4455 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 15% polyethylene glycol 1500 and 0.1 M bicine, pH 8.5 |
