7QNH
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-21 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.539, 54.647, 106.562 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 51.883 - 2.200 |
| Rwork | 0.209 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rrm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.499 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.883 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rpim | 0.082 | 0.292 |
| Number of reflections | 39813 | 3466 |
| <I/σ(I)> | 5.3 | 1.9 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 1.92 | 1.94 |
| CC(1/2) | 0.988 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295.15 | 50.64 mM Sodium acetate trihydrate, pH 4.5; 15 % (w/v) PEG 3350; 200 mM sodium formate |
