7HHG
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1741966151
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 | 2021-05-19 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.918076 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.600, 42.160, 158.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.780 - 1.500 |
| R-factor | 0.20709 |
| Rwork | 0.205 |
| R-free | 0.23772 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.922 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.880 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.072 | 1.521 |
| Rmeas | 0.079 | 1.705 |
| Rpim | 0.031 | 0.759 |
| Total number of observations | 277980 | 16326 |
| Number of reflections | 45804 | 3310 |
| <I/σ(I)> | 11 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.1 | 4.9 |
| CC(1/2) | 0.999 | 0.382 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 28% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6 |
