7Y79
Crystal structure of Cry78Aa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.958, 75.995, 89.028 |
| Unit cell angles | 90.00, 111.42, 90.00 |
Refinement procedure
| Resolution | 28.010 - 2.320 |
| R-factor | 0.2008 |
| Rwork | 0.198 |
| R-free | 0.24920 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.088 | 0.722 |
| Rmeas | 0.096 | 0.782 |
| Rpim | 0.037 | 0.298 |
| Number of reflections | 17763 | 1742 |
| <I/σ(I)> | 13.6 | 2.7 |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.997 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | Tris-HCl, PEG3350, magnesium nitrate |
