8X3X
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) | 0.97918 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 97.341, 110.365, 112.514 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.670 - 2.150 |
| Rwork | 0.155 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.037 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.610 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.080 | 0.503 |
| Number of reflections | 66569 | 4455 |
| <I/σ(I)> | 18.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.7 |
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 |
