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 |