5NCC
Structure of Fatty acid Photodecarboxylase in complex with FAD and palmitic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.234, 192.109, 116.127 |
| Unit cell angles | 90.00, 113.28, 90.00 |
Refinement procedure
| Resolution | 49.070 - 3.120 |
| R-factor | 0.22886 |
| Rwork | 0.225 |
| R-free | 0.27827 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.934 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.260 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Rmerge | 0.187 | 0.772 |
| Number of reflections | 70398 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 20-25% PEG3350 17-20% 2-propanol 0.1M NaCitrate 0.1M pH 5.5 |
