7QLG
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.780, 55.360, 107.690 |
| Unit cell angles | 90.00, 103.67, 90.00 |
Refinement procedure
| Resolution | 51.661 - 2.000 |
| Rwork | 0.186 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rrm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.382 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.661 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.153 | 0.752 |
| Number of reflections | 53704 | 53704 |
| <I/σ(I)> | 7.4 | 2.4 |
| Completeness [%] | 98.9 | 99.2 |
| Redundancy | 3.14 | 3.25 |
| CC(1/2) | 0.971 | 0.414 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 50.64mM Sodium acetate trihydrate, pH 4.5, 15%w/v PEG 3350, 200mM Sodium Formate |
