9VMS
lbADH mutant A93Y/L194M/V195G
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 | 2024-10-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.950, 55.540, 114.240 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 47.030 - 1.740 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.20090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.791 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.030 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.133 | 0.925 |
| Number of reflections | 106889 | 5238 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M, Calcium chloride dihydrate 0.1 M, BIS-TRIS pH=6.5 45% v/v, (+/-)-2-Methyl-2,4-pentanediol |
