5MOF
Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate
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 | 2015-03-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97960 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 79.484, 97.850, 98.094 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.277 - 1.450 |
| R-factor | 0.1726 |
| Rwork | 0.172 |
| R-free | 0.18940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lun |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.727 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.280 | 69.280 | 1.540 |
| High resolution limit [Å] | 1.450 | 4.350 | 1.450 |
| Rmerge | 0.110 | 0.033 | 1.521 |
| Rmeas | 0.120 | ||
| Rpim | 0.047 | ||
| Total number of observations | 430728 | ||
| Number of reflections | 67866 | ||
| <I/σ(I)> | 10.8 | 2 | |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.3 | 6.4 | 6.1 |
| CC(1/2) | 0.998 | 0.995 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 17-20% PEG 3350, 100mM Bis-Tris Phosphate, 100mM Sodium potassium phosphate, 3mM manganese chloride, 10mM 2-oxoglutarate |
