3Q6Z
HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose
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 | 2010-01-28 |
| Detector | RAYONIX MX-225 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.357, 71.357, 71.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.920 - 2.230 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spv |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.756 |
| 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] | 35.000 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.093 | 0.623 |
| Number of reflections | 9427 | |
| <I/σ(I)> | 24.8 | 5.5 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 11.8 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 293 | 30% PEGMME2000, 0.1M HEPES, 4mM ADP-RIBOSE, 4mM MAGNESIUM CHLORIDE, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
