8C3A
Crystal structure of ailanthone bound to the Candida albicans 80S ribosome
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 298.960, 294.090, 450.210 |
Unit cell angles | 90.00, 100.12, 90.00 |
Refinement procedure
Resolution | 227.460 - 3.000 |
R-factor | 0.2682 |
Rwork | 0.268 |
R-free | 0.29950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.783 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (19.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 227.500 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmeas | 0.759 | |
Number of reflections | 1514598 | 73124 |
<I/σ(I)> | 4.81 | |
Completeness [%] | 99.4 | |
Redundancy | 21.6 | |
CC(1/2) | 0.994 | 0.040 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 20000, potassium acetate, potassium thiocyanate, magnesium acetate, bis-tris, spermidine |