3VFQ
Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphoribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93928 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 46.620, 59.940, 144.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.620 - 2.800 |
| R-factor | 0.23787 |
| Rwork | 0.233 |
| R-free | 0.28305 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 3Q6Z AND 3Q71 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.473 |
| 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 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.175 | 0.805 |
| Number of reflections | 10514 | |
| <I/σ(I)> | 10.1 | 2.3 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 8.3 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350, 0.2M SODIUM-THIOCYANATE, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
