7HHE
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1203252645
This is a non-PDB format compatible entry.
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 | 41.483, 41.981, 157.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.990 - 2.040 |
| R-factor | 0.19065 |
| Rwork | 0.186 |
| R-free | 0.26462 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.778 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.990 | 2.150 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.187 | 1.910 |
| Rmeas | 0.203 | 2.077 |
| Rpim | 0.080 | 0.809 |
| Total number of observations | 117733 | 16792 |
| Number of reflections | 18462 | 2601 |
| <I/σ(I)> | 6.9 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.996 | 0.417 |
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 |
