5ECE
Tankyrase 1 with Phthalazinone 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.970, 59.980, 77.190 |
| Unit cell angles | 86.21, 78.89, 89.06 |
Refinement procedure
| Resolution | 44.000 - 2.200 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.22370 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data scaling software | SCALA (3.2.21) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.593 | 75.593 | 2.320 |
| High resolution limit [Å] | 1.684 | 6.960 | 2.200 |
| Rmerge | 0.114 | 0.053 | 0.518 |
| Rmeas | 0.161 | ||
| Rpim | 0.114 | 0.053 | 0.518 |
| Total number of observations | 90715 | 2859 | 12000 |
| Number of reflections | 47363 | ||
| <I/σ(I)> | 7.1 | 17.6 | 2 |
| Completeness [%] | 96.7 | 98 | 89.5 |
| Redundancy | 1.9 | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 0.1 M MES pH 6.5, 0.2 Sodium Acetate |
