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 |