8RDZ
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
This is a non-PDB format compatible entry.
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 | 2019-09-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.710, 59.200, 79.431 |
| Unit cell angles | 80.65, 82.96, 77.03 |
Refinement procedure
| Resolution | 49.557 - 2.020 |
| Rwork | 0.221 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.773 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.560 | 2.092 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.057 | 0.875 |
| Rmeas | 0.071 | |
| Rpim | 0.040 | |
| Number of reflections | 53078 | 5256 |
| <I/σ(I)> | 7.35 | |
| Completeness [%] | 96.9 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.994 | 0.243 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris, PEG4K, magnesium chloride |
