7FVK
PanDDA analysis group deposition -- PHIP in complex with Z409964562
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 | 81.942, 27.432, 56.396 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 55.550 - 1.150 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19870 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.008 |
| 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] | 55.560 | 55.560 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.200 | 1.150 |
| Rmerge | 0.056 | 0.102 | 0.158 |
| Rmeas | 0.061 | 0.113 | 0.223 |
| Rpim | 0.025 | 0.047 | 0.158 |
| Total number of observations | 175065 | 1899 | 147 |
| Number of reflections | 33445 | ||
| <I/σ(I)> | 18.7 | 33.7 | 1 |
| Completeness [%] | 75.7 | 99.8 | 6.5 |
| Redundancy | 5.2 | 5.9 | 1 |
| CC(1/2) | 0.964 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
