9G65
Crystal structure of the engineered photoenzyme SpEnT1.3
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 | 2024-05-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.240, 78.509, 43.159 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 43.450 - 1.800 |
| R-factor | 0.1981 |
| Rwork | 0.196 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.782 |
| 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] | 43.450 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 4.044 | |
| Number of reflections | 26784 | 2909 |
| <I/σ(I)> | 10.9 | 0.4 |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 7 | |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES, pH 7.5 25% PEG 3350. |
