7ZP5
Crystal structure of designed photoenzyme EnT1.0
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 | 2022-02-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.847, 43.397, 81.764 |
| Unit cell angles | 90.00, 93.98, 90.00 |
Refinement procedure
| Resolution | 81.570 - 1.540 |
| R-factor | 0.1968 |
| Rwork | 0.196 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i1c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.998 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.570 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.058 | |
| Rmeas | 0.950 | |
| Rpim | 0.448 | |
| Number of reflections | 89549 | 8084 |
| <I/σ(I)> | 17.22 | 0.67 |
| Completeness [%] | 98.8 | 89.62 |
| Redundancy | 6.5 | 4.3 |
| CC(1/2) | 0.998 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium sulfate, 0.1 M BIS-Tris, pH = 5.5, 25% w/v PEG 3350 |
