9FYU
Crystal structure of the engineered photoenzyme VEnT1.0
This is a non-PDB format compatible entry.
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 | 2024-01-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.729, 73.437, 74.121 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 50.600 - 1.520 |
| R-factor | 0.1443 |
| Rwork | 0.143 |
| R-free | 0.17440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.011 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.600 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.098 | 1.671 |
| Rpim | 0.040 | 0.854 |
| Number of reflections | 79341 | 4191 |
| <I/σ(I)> | 13.12 | 1.26 |
| Completeness [%] | 95.0 | 65.04 |
| Redundancy | 6.7 | 4.9 |
| CC(1/2) | 0.998 | 0.372 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M MIB pH = 7 25% PEG 1500 |
