13UH
Orf9b homodimer in complex with fragment ZINC000004218283
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.884, 64.858, 73.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.640 - 1.480 |
| R-factor | 0.2195 |
| Rwork | 0.218 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.274 |
| 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] | 48.640 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.040 | 1.609 |
| Rmeas | 0.043 | 1.832 |
| Rpim | 0.017 | 0.850 |
| Total number of observations | 171747 | 3944 |
| Number of reflections | 28022 | 981 |
| <I/σ(I)> | 19 | 0.8 |
| Completeness [%] | 96.2 | |
| Redundancy | 6.1 | 4 |
| CC(1/2) | 0.999 | 0.261 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 10% PEG3350, 10% PEG1000, 10% MPD, 0.15M Ethylene Glycol, 0.1M MES pH 6.5, 0.1M Imidazole pH 6.5 |
