8JDG
Crystal structure of H405A mLDHD in complex with D-2-hydroxybutanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.390, 103.400, 122.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.550 - 1.310 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.20450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.018 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.980 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.155 | 1.013 |
| Rmeas | 0.161 | 1.090 |
| Rpim | 0.045 | 0.398 |
| Total number of observations | 1522281 | 65876 |
| Number of reflections | 123299 | 9027 |
| <I/σ(I)> | 10 | 1.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.3 | 7.3 |
| CC(1/2) | 0.992 | 0.684 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 4.0 M sodium formate |
