9G91
Crystal structure of HRP-2 PWWP domain in complex with compound 43
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976253 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.056, 41.663, 72.179 |
| Unit cell angles | 90.00, 102.84, 90.00 |
Refinement procedure
| Resolution | 36.550 - 1.780 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.593 |
| 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] | 70.370 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.129 | 0.981 |
| Rmeas | 0.145 | 1.115 |
| Rpim | 0.067 | 0.520 |
| Total number of observations | 100197 | 14148 |
| Number of reflections | 21823 | 3148 |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 4.6 | 4.5 |
| CC(1/2) | 0.996 | 0.611 |
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 |
