9KBC
3-hydroxyisobutyrate dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.013, 61.597, 60.650 |
| Unit cell angles | 90.00, 92.22, 90.00 |
Refinement procedure
| Resolution | 25.270 - 2.000 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.583 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.590 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.309 |
| Rmeas | 0.096 | 0.336 |
| Rpim | 0.038 | 0.131 |
| Number of reflections | 18747 | 1374 |
| <I/σ(I)> | 16 | 7.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.996 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MMT pH = 5.0,25% w/v PEG1500 |
