7AKR
Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with ADP-ribose dimer
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.620, 91.600, 91.090 |
| Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
| Resolution | 70.631 - 1.950 |
| Rwork | 0.187 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d36 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.356 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.631 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.145 | 1.535 |
| Rmeas | 0.083 | 1.665 |
| Rpim | 0.061 | 0.638 |
| Number of reflections | 99860 | 7382 |
| <I/σ(I)> | 7.9 | 1.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.996 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM TrisHCl (pH 8.5), 20% (w/v) PEG4000 and 200 mM MgCl2 |
