5AIL
Human PARP9 2nd macrodomain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.489, 74.010, 94.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.240 - 1.550 |
| R-factor | 0.17149 |
| Rwork | 0.169 |
| R-free | 0.21507 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q71 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.539 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.730 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.090 | 0.740 |
| Number of reflections | 58370 | |
| <I/σ(I)> | 7.1 | 1.7 |
| Completeness [%] | 97.3 | 97.8 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 30% PEG1000, 0.1M SPG PH 6.0 |
