8AYV
Crystal structure of the Malonyl-ACP Decarboxylase MadB from Pseudomonas putida
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 | 2021-02-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.739, 58.282, 57.131 |
| Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
| Resolution | 56.875 - 1.044 |
| Rwork | 0.122 |
| R-free | 0.15120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.008 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.875 | 1.107 |
| High resolution limit [Å] | 1.044 | 1.044 |
| Rmerge | 0.042 | 0.755 |
| Rpim | 0.018 | 0.460 |
| Number of reflections | 101763 | 5089 |
| <I/σ(I)> | 16 | 1.3 |
| Completeness [%] | 93.9 | 53.8 |
| Redundancy | 6.3 | 3.4 |
| CC(1/2) | 1.000 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 1500, 0.1 M SPG buffer at pH 8.0 |
