8UV1
Structure of TDP1 complexed with compound IB01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-12-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.958, 105.022, 193.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.851 - 1.830 |
| R-factor | 0.1644 |
| Rwork | 0.163 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.832 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rpim | 0.034 | 0.252 |
| Number of reflections | 89424 | 4219 |
| <I/σ(I)> | 18.5 | 2.1 |
| Completeness [%] | 98.8 | 94.4 |
| Redundancy | 6.9 | 6.4 |
| CC(1/2) | 0.995 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M, MOPS/HEPES-NA PH 7.5, 10% (W/V) PEG 8000 20% (V/V) ETHYLENE GLYCOL, 0.03M SODIUM FLUORIDE, 0.03M SODIUM BROMIDE, 0.03M SODIUM IODIDE |
