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 |