7FUU
PanDDA analysis group deposition -- PHIP in complex with Z445977856
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 | 2022-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.919, 27.404, 56.400 |
| Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
| Resolution | 55.570 - 1.160 |
| R-factor | 0.1818 |
| Rwork | 0.181 |
| R-free | 0.20410 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.624 |
| 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] | 55.600 | 55.600 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.200 | 1.150 |
| Rmerge | 0.068 | 0.057 | |
| Rmeas | 0.075 | 0.064 | |
| Rpim | 0.031 | 0.028 | |
| Total number of observations | 173819 | 1914 | 125 |
| Number of reflections | 34010 | ||
| <I/σ(I)> | 17.3 | 61.7 | 0.3 |
| Completeness [%] | 76.8 | 99.8 | 5.5 |
| Redundancy | 5.1 | 5.9 | 1 |
| CC(1/2) | 0.989 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
