7HHK
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1247413608
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 | 41.350, 42.020, 158.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.140 - 1.940 |
| R-factor | 0.19672 |
| Rwork | 0.193 |
| R-free | 0.26046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.816 |
| 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] | 79.140 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.144 | 2.400 |
| Rmeas | 0.157 | 2.615 |
| Rpim | 0.062 | 1.028 |
| Total number of observations | 133905 | 9790 |
| Number of reflections | 21315 | 1552 |
| <I/σ(I)> | 7.7 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.3 | 6.3 |
| CC(1/2) | 0.996 | 0.364 |
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 |
