7QNJ
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND GLYCEROL
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-12 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.139, 86.217, 148.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.427 - 1.660 |
| Rwork | 0.154 |
| R-free | 0.18330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rrm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.280 |
| 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] | 29.430 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rpim | 0.033 | 0.303 |
| Number of reflections | 88890 | 4211 |
| <I/σ(I)> | 14.5 | 2.5 |
| Completeness [%] | 99.8 | 97.1 |
| Redundancy | 6.73 | 5.85 |
| CC(1/2) | 0.999 | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 75.09mM Sodium acetate trihydrate, pH 4.5, 15%w/v PEG 3350, 225mM NAF |
