5O2D
PARP14 Macrodomain 2 with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-19 |
| Detector | CS-PAD XPP |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.408, 35.740, 37.150 |
| Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
| Resolution | 27.650 - 1.600 |
| R-factor | 0.13212 |
| Rwork | 0.130 |
| R-free | 0.17406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.480 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.650 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 22712 | 1036 |
| <I/σ(I)> | 12.2 | 3.6 |
| Completeness [%] | 98.9 | 90.7 |
| Redundancy | 3.8 | 2.7 |
| CC(1/2) | 0.998 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.8M sodium phosphate monobasic, 0.8M potassium phosphate dibasic, 0.1M HEPES pH 7.5 |
