7FVA
PanDDA analysis group deposition -- PHIP in complex with Z4913872963
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 | 82.024, 27.381, 56.258 |
| Unit cell angles | 90.00, 99.49, 90.00 |
Refinement procedure
| Resolution | 30.410 - 1.190 |
| R-factor | 0.2558 |
| Rwork | 0.255 |
| R-free | 0.26850 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.674 |
| 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] | 30.400 | 30.400 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.045 | 0.087 | 0.326 |
| Rmeas | 0.050 | 0.097 | 0.452 |
| Rpim | 0.020 | 0.043 | 0.312 |
| Total number of observations | 173499 | 1495 | 615 |
| Number of reflections | 33580 | ||
| <I/σ(I)> | 26.8 | 52.1 | 1.4 |
| Completeness [%] | 84.2 | 99.1 | 24.2 |
| Redundancy | 5.2 | 5.4 | 1.3 |
| CC(1/2) | 0.994 | 0.970 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
