6W65
Human PARP16 in complex with RBN010860
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 63 |
| Detector technology | PIXEL |
| Collection date | 2019-10-28 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 147.120, 147.120, 99.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.780 - 2.130 |
| R-factor | 0.1919 |
| Rwork | 0.190 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.591 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.780 | 2.185 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.061 | 0.948 |
| Number of reflections | 58280 | 4242 |
| <I/σ(I)> | 23.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 100mM Sodium citrate pH5.5, 18%w/v PEG3350 |
