4C3S
Structure of a 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 | CCD |
| Collection date | 2012-07-17 |
| Detector | ADSC CCD |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 138.488, 138.488, 84.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.967 - 1.640 |
| R-factor | 0.1477 |
| Rwork | 0.146 |
| R-free | 0.17380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k9d |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: DEV_1439)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.640 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.060 | 0.700 |
| Number of reflections | 50131 | |
| <I/σ(I)> | 17.8 | 2.3 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | PROTEIN IN 50 MM TRIS.HCL, PH 8.0, 35 MM NACL. 1:1 HANGING DROPS OVER: 0.1 M SODIUM ACETATE, PH 4.5 - 4.8 1.4 - 1.8 M AMMONIUM SULPHATE |
