7FV1
PanDDA analysis group deposition -- PHIP in complex with Z4912742920
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 | 81.906, 27.464, 56.444 |
| Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
| Resolution | 30.190 - 1.190 |
| R-factor | 0.1773 |
| Rwork | 0.176 |
| R-free | 0.20460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.687 |
| 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] | 30.190 | 30.190 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.410 | 1.190 |
| Rmerge | 0.064 | 0.111 | 0.247 |
| Rmeas | 0.070 | 0.126 | 0.343 |
| Rpim | 0.029 | 0.057 | 0.236 |
| Total number of observations | 171255 | 1591 | 611 |
| Number of reflections | 33165 | ||
| <I/σ(I)> | 25.8 | 42.8 | 2.9 |
| Completeness [%] | 83.0 | 99.2 | 23.2 |
| Redundancy | 5.2 | 5.5 | 1.3 |
| CC(1/2) | 0.993 | 0.975 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
