8OF7
Cyc15 Diels Alderase
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 | 2022-04-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 65.140, 65.140, 180.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.100 - 1.660 |
| R-factor | 0.18877 |
| Rwork | 0.187 |
| R-free | 0.21497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.615 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.101 | |
| Number of reflections | 46918 | 2267 |
| <I/σ(I)> | 22.7 | |
| Completeness [%] | 100.0 | 99.65 |
| Redundancy | 77.2 | |
| CC(1/2) | 1.000 | 0.299 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 100 mM glutamate monohydrate, 100 mM DL-alanine, 100 mM glycine, 100 mM DL-lysine monohydrochloride, 100 mM DL-serine, 100 mM imidazole, 100 mM MES monohydrate (acid), 20 % (v/v) ethylene glycol, 10 % (w/v) PEG 8000 |
