8CW2
Crystal structure of TDP1 complexed with compound XZ760
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 | 2021-12-17 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.728, 104.758, 193.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.636 - 1.811 |
R-factor | 0.1579 |
Rwork | 0.156 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dhu |
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 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.075 | 0.692 |
Rpim | 0.031 | 0.280 |
Number of reflections | 89034 | 4242 |
<I/σ(I)> | 21.9 | 2.1 |
Completeness [%] | 95.9 | |
Redundancy | 6.7 | |
CC(1/2) | 0.997 | 0.961 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M 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 and 0.03 M sodium iodide |