9KB0
3-hydroxyisobutyrate dehydrogenase
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 | 2024-10-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.030, 65.640, 86.670 |
| Unit cell angles | 90.00, 100.23, 90.00 |
Refinement procedure
| Resolution | 40.260 - 2.900 |
| R-factor | 0.2038 |
| Rwork | 0.204 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.165 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.640 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.170 | 0.953 |
| Rmeas | 0.185 | 1.033 |
| Rpim | 0.071 | 0.542 |
| Number of reflections | 12620 | 2021 |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 6.6 | 6.7 |
| CC(1/2) | 0.995 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | sodium nitrate, sodium phosphate dibasic, ammonium sulfate, imidazole, MES, PEG 500*MME, PEG 20000 |
