7Y78
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 | 2018-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 66.936, 132.741, 314.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 2.900 |
| R-factor | 0.2793 |
| Rwork | 0.279 |
| R-free | 0.28220 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.727 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.102 | 0.702 |
| Rmeas | 0.111 | 0.761 |
| Rpim | 0.043 | 0.292 |
| Number of reflections | 63102 | 4303 |
| <I/σ(I)> | 12.6 | 2.7 |
| Completeness [%] | 99.6 | 93.3 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.996 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | Tris-HCl, PEG3350, ammonium chloride |
