5BXU
Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.75000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.086, 63.279, 72.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.900 - 1.350 |
| R-factor | 0.15768 |
| Rwork | 0.156 |
| R-free | 0.18634 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3twq |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.146 |
| Data reduction software | XDS ((VERSION November 11) |
| Data scaling software | Aimless ((version 0.3.5)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.987 | 1.355 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.064 | 0.711 |
| Number of reflections | 31722 | |
| <I/σ(I)> | 13.7 | 1.7 |
| Completeness [%] | 98.8 | 92.1 |
| Redundancy | 4.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 1.60 M tri-sodium citrate |
