7HHR
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57744712
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 | 41.410, 41.730, 156.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.360 - 2.030 |
| R-factor | 0.19537 |
| Rwork | 0.191 |
| R-free | 0.27825 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.757 |
| 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] | 40.330 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.171 | 2.466 |
| Rmeas | 0.186 | 2.696 |
| Rpim | 0.073 | 1.078 |
| Total number of observations | 117388 | 8243 |
| Number of reflections | 18369 | 1346 |
| <I/σ(I)> | 6.7 | 0.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.4 | 6.1 |
| CC(1/2) | 0.996 | 0.293 |
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 |
