31EE
Cyclodipeptide Synthase from Fusarium oxysporum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.791, 113.668, 58.903 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 57.060 - 1.810 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.911 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.070 | 1.860 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.098 | 0.964 |
| Rmeas | 0.118 | 1.220 |
| Rpim | 0.064 | 0.737 |
| Number of reflections | 53062 | 3929 |
| <I/σ(I)> | 5.6 | 1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.2 | 2.6 |
| CC(1/2) | 0.987 | 0.399 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Molecular Dimensions screen BCS (well-A6) 0.1 M MES 25 % PEG smear medium |
