4XHU
The complex structure of Timeless_PAB and PARP-1_catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97907 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.364, 98.416, 116.900 |
| Unit cell angles | 90.00, 113.19, 90.00 |
Refinement procedure
| Resolution | 25.096 - 2.089 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xht |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.063 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.100 | 2.090 |
| High resolution limit [Å] | 2.089 | 2.050 |
| Rmerge | 0.458 | |
| Number of reflections | 62689 | |
| <I/σ(I)> | 15.9 | 3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | 200mM sodium acetate 100mM calcium cacodylate 15% PEG8000 |
