6HPS
Near-infrared dual bioluminescence imaging in vivo using infra-luciferin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 105 |
| Detector technology | PIXEL |
| Collection date | 2017-11-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.509, 114.016, 101.557 |
| Unit cell angles | 90.00, 98.18, 90.00 |
Refinement procedure
| Resolution | 17.860 - 3.100 |
| R-factor | 0.28 |
| Rwork | 0.277 |
| R-free | 0.33260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iep |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.776 |
| Data reduction software | CrysalisPro (171.39.46) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.500 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.227 | 0.446 |
| Number of reflections | 18228 | 1830 |
| <I/σ(I)> | 2.15 | 1.07 |
| Completeness [%] | 94.2 | 97.3 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 150 mM ammonium sulfate, 50 mM HEPES pH 7.0, 2% PEG 1000 |
