6N0D
Crystal structure of Tdp1 catalytic domain in complex with compound XZ575
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-16 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.058, 105.429, 193.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.053 - 1.453 |
| R-factor | 0.1672 |
| Rwork | 0.167 |
| R-free | 0.19330 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.821 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.057 | 0.766 |
| Rmeas | 0.076 | 0.861 |
| Rpim | 0.028 | 0.357 |
| Number of reflections | 180688 | 6922 |
| <I/σ(I)> | 37.9 | 2 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.2 | 5.6 |
| CC(1/2) | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M MOPS/HEPES-Na pH 7.5, 10% (w/v) PEG 8000, 20% (v/v) ethylene glycol, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide |
