7FVM
PanDDA analysis group deposition -- PHIP in complex with Z1590917771
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 | 2022-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.788, 27.405, 56.326 |
| Unit cell angles | 90.00, 100.15, 90.00 |
Refinement procedure
| Resolution | 55.440 - 1.260 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.19700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.440 | 55.440 | 1.280 |
| High resolution limit [Å] | 1.260 | 6.790 | 1.260 |
| Rmerge | 0.083 | 0.079 | 1.260 |
| Rmeas | 0.091 | 0.088 | 1.723 |
| Rpim | 0.037 | 0.038 | 1.166 |
| Total number of observations | 169660 | 1435 | 1816 |
| Number of reflections | 30824 | ||
| <I/σ(I)> | 16 | 36.7 | 2 |
| Completeness [%] | 91.9 | 99.8 | 50.9 |
| Redundancy | 5.5 | 5.8 | 2.2 |
| CC(1/2) | 0.982 | 0.986 | 0.218 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
