4L7R
Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400
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 | 2012-02-02 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.324, 56.456, 56.475 |
| Unit cell angles | 90.00, 112.97, 90.00 |
Refinement procedure
| Resolution | 27.080 - 2.200 |
| R-factor | 0.1795 |
| Rwork | 0.175 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gv4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.068 | 0.389 |
| Number of reflections | 16348 | |
| <I/σ(I)> | 19.3 | 5.3 |
| Completeness [%] | 99.2 | 96.1 |
| Redundancy | 4.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8M DL-Malic Acid, 0.1M Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
