6XS8
Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 47.520, 47.520, 170.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.151 - 1.950 |
| R-factor | 0.20705055269 |
| Rwork | 0.205 |
| R-free | 0.25126 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w8m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.314 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.750 | 42.750 | 1.870 |
| High resolution limit [Å] | 1.830 | 8.970 | 1.830 |
| Rmerge | 0.039 | 0.028 | 0.146 |
| Rmeas | 0.041 | 0.031 | 0.154 |
| Rpim | 0.013 | 0.012 | 0.047 |
| Total number of observations | 209530 | 977 | 12616 |
| Number of reflections | 20527 | 169 | 1206 |
| <I/σ(I)> | 28 | 36.3 | 9.5 |
| Completeness [%] | 99.6 | 73.9 | 99 |
| Redundancy | 10.2 | 5.8 | 10.5 |
| CC(1/2) | 1.000 | 0.999 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.18 M ammonium citrate dibasic and 20% PEG 3350 |
