6FXI
Human PARP10 (ARTD10), catalytic fragment in complex with 3-aminobenzamide and citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.600, 86.600, 57.460 |
| Unit cell angles | 90.00, 104.98, 90.00 |
Refinement procedure
| Resolution | 49.850 - 2.600 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lx6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.850 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.223 | 0.737 |
| Rmeas | 0.242 | 0.797 |
| Number of reflections | 15114 | 1747 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 98.8 | 100 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.985 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 16% PEG3350, 0.1 M Citrate-Bis-Tris-Propane, 3 mM 3-aminobenzamide |
