7L9Y
Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.650, 92.230, 144.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.160 - 2.250 |
| R-factor | 0.2676 |
| Rwork | 0.266 |
| R-free | 0.29840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3smj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.160 | 2.308 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.152 | 1.095 |
| Number of reflections | 44437 | 3210 |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M HEPES pH 7.0, 26% v/v Jeffamine ED-2001 |
