5LXP
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5
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 | 2015-12-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 145.400, 83.680, 35.050 |
| Unit cell angles | 90.00, 95.95, 90.00 |
Refinement procedure
| Resolution | 24.150 - 2.070 |
| R-factor | 0.1792 |
| Rwork | 0.178 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f1l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.800 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.111 | 0.880 |
| Number of reflections | 25321 | |
| <I/σ(I)> | 10.5 | 1.7 |
| Completeness [%] | 99.4 | 98.1 |
| Redundancy | 6.5 | 5.7 |
| CC(1/2) | 0.996 | 0.526 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | 17.5% PEG3350, 0.175 Sodium nitrate, 0.1M Bis-Tris |
