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 |