5BXO
Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91731 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.823, 46.014, 54.472 |
| Unit cell angles | 78.45, 88.99, 72.35 |
Refinement procedure
| Resolution | 53.310 - 1.334 |
| R-factor | 0.17623 |
| Rwork | 0.175 |
| R-free | 0.20273 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.577 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.312 | 1.338 |
| High resolution limit [Å] | 1.334 | 1.334 |
| Rmerge | 0.084 | 0.525 |
| Number of reflections | 59052 | |
| <I/σ(I)> | 15.2 | 2.3 |
| Completeness [%] | 95.9 | 91.2 |
| Redundancy | 3.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 0.1 M tri-sodium citrate, pH 5.0, 3.2 M ammonium sulfate |
