8AQI
NanoLuc luciferase with bound coelenteramide in surface allosteric site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.979, 87.282, 191.522 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 44.350 - 1.990 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8aq6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.246 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.880 | 2.030 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.087 | |
| Number of reflections | 96944 | 8970 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.997 | 0.360 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293.15 | MgCl2, KCl, Na acetate, PEG-400 |
