6M3I
Crystal structure of HPF1/PARP1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-02-16 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 0.97849 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.858, 84.179, 81.731 |
| Unit cell angles | 90.00, 107.49, 90.00 |
Refinement procedure
| Resolution | 27.390 - 1.980 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m3g 6bhv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.905 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rpim | 0.053 | 0.385 |
| Number of reflections | 44217 | 2414 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 98.3 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 300 | 0.1 M Tris-pH 7.0, 0.2 M magnesium formate dehydrate, 20% w/v PEG 3350. |
