9KE2
Crystal structure of SxRhaGT in complex with TDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.390, 91.980, 102.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.290 - 1.610 |
| R-factor | 0.21762 |
| Rwork | 0.216 |
| R-free | 0.24547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.531 |
| Data reduction software | HKL-3000 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.530 | 1.620 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.182 | 1.470 |
| Rmeas | 0.195 | |
| Rpim | 0.067 | |
| Number of reflections | 104690 | 4559 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 2% v/v Polyethylene glycol 400, 0.1 M Imidazole pH7.0, 24% w/v PEG monomethyl ether 5,000 |
