7LUN
Human PARP14 (ARTD8), catalytic fragment in complex with RBN011980
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.990, 153.660, 87.460 |
| Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
| Resolution | 48.530 - 2.570 |
| R-factor | 0.2346 |
| Rwork | 0.232 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3smj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.530 | 2.650 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.151 | 0.701 |
| Number of reflections | 52396 | 4540 |
| <I/σ(I)> | 6.5 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium Acetate pH 4.5, 3.0 M Sodium Chloride, 0.2% w/v 2,2'-Thiodiglycolic acid, 0.2% w/v Adipic acid, 0.2% w/v Benzoic acid, 0.2% w/v Oxalic acid anhydrous, 0.2% w/v Terephthalic acid, 0.02 M HEPES sodium pH 6.8 |
