6JEZ
Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.930, 43.390, 42.000 |
| Unit cell angles | 90.00, 95.30, 90.00 |
Refinement procedure
| Resolution | 29.180 - 2.300 |
| R-factor | 0.20486 |
| Rwork | 0.202 |
| R-free | 0.25594 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zlc |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.705 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.750 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.047 | 0.109 |
| Rpim | 0.029 | 0.066 |
| Number of reflections | 12346 | 1377 |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.997 | 0.989 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MOPS-Na pH 7.0, 0.1 M sodium formate, 15% PEG4000, 5% ethylene glycol |
