7AKS
Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with H2B-S7-mar peptide
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 | 2019-09-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.968630 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 123.360, 158.638, 74.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.572 - 1.860 |
| Rwork | 0.169 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6d36 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.560 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 158.620 | 1.900 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.167 | 1.824 |
| Rmeas | 0.171 | 1.905 |
| Rpim | 0.036 | 0.532 |
| Number of reflections | 124986 | 5897 |
| <I/σ(I)> | 12.9 | 1.4 |
| Completeness [%] | 99.9 | 97.7 |
| Redundancy | 21.4 | 11.5 |
| CC(1/2) | 0.999 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | sodium citrate (pH 6.1), 18% (w/v) PEG4000 and 400 mM ammonium acetate |
