9G96
Crystal structure of HRP-2 PWWP domain in complex with compound 42
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00020 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.309, 41.676, 72.298 |
| Unit cell angles | 90.00, 102.75, 90.00 |
Refinement procedure
| Resolution | 38.190 - 1.940 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.622 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.190 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.165 | 0.956 |
| Rmeas | 0.182 | 1.055 |
| Rpim | 0.074 | 0.439 |
| Total number of observations | 92886 | 12591 |
| Number of reflections | 16107 | 2293 |
| <I/σ(I)> | 8.4 | 1.9 |
| Completeness [%] | 94.0 | |
| Redundancy | 5.8 | 5.5 |
| CC(1/2) | 0.994 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 28% PEG MME 2000 0.15 M ammonium sulfate 0.1 M sodium acetate pH 4.6 |
