5DBV
Structure of a C269A mutant of 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) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 138.264, 138.264, 84.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.890 - 1.770 |
R-factor | 0.1484 |
Rwork | 0.146 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c3s |
RMSD bond length | 0.010 |
RMSD bond angle | 1.263 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.890 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.073 | 1.050 |
Number of reflections | 40079 | |
<I/σ(I)> | 22.4 | 2.3 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 12.9 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 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. Crystals soaked with 10 mM CoA in well solution. |