7S68
Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.208, 93.652, 119.259 |
Unit cell angles | 90.00, 106.29, 90.00 |
Refinement procedure
Resolution | 47.410 - 3.300 |
R-factor | 0.2531 |
Rwork | 0.251 |
R-free | 0.29240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dqy |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.410 | 47.410 | 3.560 |
High resolution limit [Å] | 3.300 | 8.730 | 3.300 |
Rmerge | 0.096 | 0.034 | 1.825 |
Rmeas | 0.103 | 0.036 | 1.965 |
Rpim | 0.036 | 0.013 | 0.712 |
Total number of observations | 115298 | 6220 | 23610 |
Number of reflections | 13906 | 780 | 2853 |
<I/σ(I)> | 14.1 | 59 | 1.3 |
Completeness [%] | 99.3 | 99.2 | 99.1 |
Redundancy | 8.3 | 8 | 8.3 |
CC(1/2) | 0.999 | 1.000 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 8000, ethylene glycol, HEPES pH 7.5 |