7FV8
PanDDA analysis group deposition -- PHIP in complex with Z964297186
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 | 81.971, 27.330, 56.289 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 55.430 - 1.150 |
| R-factor | 0.1688 |
| Rwork | 0.168 |
| R-free | 0.19110 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.651 |
| 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 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.059 | 0.089 | 0.225 |
| Rmeas | 0.064 | 0.099 | 0.318 |
| Rpim | 0.025 | 0.042 | 0.225 |
| Total number of observations | 174225 | 1741 | 113 |
| Number of reflections | 29376 | ||
| <I/σ(I)> | 21.1 | 45.1 | 1.2 |
| Completeness [%] | 66.7 | 99.2 | 2.8 |
| Redundancy | 5.9 | 5.9 | 1.9 |
| CC(1/2) | 0.995 | 0.978 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
