9VMT
lbADH mutant I143G/E144L/Y189A/M205A/Y248A
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 |
| Unit cell lengths | 54.870, 81.450, 112.320 |
| Unit cell angles | 89.41, 89.98, 89.93 |
Refinement procedure
| Resolution | 46.010 - 1.880 |
| R-factor | 0.1716 |
| Rwork | 0.170 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.769 |
| 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] | 46.010 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Number of reflections | 152389 | 7509 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 96.3 | |
| Redundancy | 7.8 | |
| CC(1/2) | 0.990 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.05 M, Ammonium sulfate 0.05 M, BIS-TRIS pH=6.5 30 % v/v,Pentaerythritol ethoxylate (15/4 EO/OH) |
