6REL
Crystal structure of Pizza6-SH with CdCl2 nanocrystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.642, 71.642, 166.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.410 - 1.080 |
| R-factor | 0.123 |
| Rwork | 0.122 |
| R-free | 0.13790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ww9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.195 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.410 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rpim | 0.032 | 0.435 |
| Number of reflections | 179775 | 6610 |
| <I/σ(I)> | 18.8 | 2.3 |
| Completeness [%] | 96.9 | 73.7 |
| Redundancy | 12.7 | 3.3 |
| CC(1/2) | 0.999 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.1M MES pH6.5, 25%(w/v) PEG4000, 100mM CdCl2 |
