4D86
Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 46.600, 60.027, 145.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.210 - 2.000 |
| R-factor | 0.19933 |
| Rwork | 0.197 |
| R-free | 0.23816 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 3Q6Z and 3Q71 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.303 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.063 | 0.618 |
| Number of reflections | 28298 | |
| <I/σ(I)> | 24.6 | 3.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 23% PEG3350, 0.14M NaSCN, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
