7OMD
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
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 | 2019-12-04 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.569, 84.057, 77.437 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 38.401 - 1.601 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2psj |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14-3260-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.950 | 43.950 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.770 | 1.600 |
| Rmerge | 0.054 | 0.020 | 1.057 |
| Rmeas | 0.059 | 0.022 | 1.151 |
| Rpim | 0.023 | 0.011 | 0.446 |
| Total number of observations | 585268 | ||
| Number of reflections | 86744 | 553 | 4170 |
| <I/σ(I)> | 20 | ||
| Completeness [%] | 99.8 | 98.7 | 97.3 |
| Redundancy | 6.7 | 6.4 | 6.4 |
| CC(1/2) | 0.998 | 0.988 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.5 | PEG3350, Bis-tris |
