6W7L
Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p
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 | PIXEL |
Collection date | 2018-08-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.032, 105.817, 194.211 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.553 - 1.856 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.21880 |
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 | 1.890 |
High resolution limit [Å] | 1.856 | 1.856 |
Rmerge | 0.096 | 0.586 |
Rmeas | 0.110 | 0.813 |
Rpim | 0.047 | 0.312 |
Number of reflections | 87892 | 4308 |
<I/σ(I)> | 38.35 | 4.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.6 | |
CC(1/2) | 0.983 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 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 |