5DRU
Structure of His387Ala mutant of the propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 138.448, 138.448, 84.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.530 - 2.083 |
| R-factor | 0.1862 |
| Rwork | 0.182 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3s |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.442 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.530 | 2.158 |
| High resolution limit [Å] | 2.083 | 2.083 |
| Rmerge | 0.081 | 1.227 |
| Number of reflections | 24570 | |
| <I/σ(I)> | 18.94 | 1.63 |
| Completeness [%] | 98.8 | 99.25 |
| Redundancy | 10 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 298 | PROTEIN IN 50 MM TRIS.HCL, PH 8.0, 150 MM NACL. 1:2 HANGING DROPS OVER: 0.1 M SODIUM ACETATE, PH 4.7, 1.7 - 1.8 M AMMONIUM SULPHATE |
