7MU5
Human DCTPP1 bound to Triptolide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92009 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.163, 60.924, 73.458 |
| Unit cell angles | 91.46, 101.31, 104.13 |
Refinement procedure
| Resolution | 29.450 - 2.200 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oig |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.723 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.450 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.097 | 0.437 |
| Rmeas | 0.128 | 0.522 |
| Rpim | 0.067 | 0.282 |
| Number of reflections | 47686 | 4737 |
| <I/σ(I)> | 7.56 | 2.22 |
| Completeness [%] | 98.2 | 97.59 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.989 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM Tris 7.5; 8% PEG3350; 300mM Proline |
