7FV2
PanDDA analysis group deposition -- PHIP in complex with Z445899798
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 | 81.961, 27.434, 56.421 |
| Unit cell angles | 90.00, 99.80, 90.00 |
Refinement procedure
| Resolution | 55.600 - 1.150 |
| R-factor | 0.2314 |
| Rwork | 0.231 |
| R-free | 0.24890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.620 | 55.620 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.190 | 1.150 |
| Rmerge | 0.042 | 0.069 | |
| Rmeas | 0.047 | 0.079 | |
| Rpim | 0.019 | 0.037 | |
| Total number of observations | 174779 | 1868 | 134 |
| Number of reflections | 33135 | ||
| <I/σ(I)> | 28.1 | 86 | 1.1 |
| Completeness [%] | 74.7 | 99.8 | 5.9 |
| Redundancy | 5.3 | 5.7 | 1 |
| CC(1/2) | 0.995 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
