5EBT
Tankyrase 1 with Phthalazinone 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.733, 151.189, 57.224 |
| Unit cell angles | 90.00, 96.28, 90.00 |
Refinement procedure
| Resolution | 18.350 - 2.240 |
| R-factor | 0.1729 |
| Rwork | 0.171 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.050 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 151.189 | 151.189 | 2.360 |
| High resolution limit [Å] | 2.240 | 7.090 | 2.240 |
| Rmerge | 0.043 | 0.471 | |
| Rmeas | 0.146 | ||
| Rpim | 0.075 | 0.031 | 0.328 |
| Total number of observations | 161397 | 4850 | 22458 |
| Number of reflections | 43852 | ||
| <I/σ(I)> | 9.6 | 20.9 | 3.2 |
| Completeness [%] | 99.1 | 96.2 | 98.9 |
| Redundancy | 3.7 | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 14% PEG 20K, 0.1 M PCPT pH5.8 |
