7FUW
PanDDA analysis group deposition -- PHIP in complex with Z961579360
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 | 82.001, 27.502, 56.336 |
| Unit cell angles | 90.00, 99.90, 90.00 |
Refinement procedure
| Resolution | 55.500 - 1.190 |
| R-factor | 0.1706 |
| Rwork | 0.170 |
| R-free | 0.18680 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.673 |
| 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] | 55.520 | 55.520 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.043 | 0.076 | 0.260 |
| Rmeas | 0.047 | 0.086 | 0.364 |
| Rpim | 0.019 | 0.040 | 0.255 |
| Total number of observations | 174002 | 1509 | 550 |
| Number of reflections | 33694 | ||
| <I/σ(I)> | 27.8 | 69.2 | 1.4 |
| Completeness [%] | 83.9 | 99.8 | 22 |
| Redundancy | 5.2 | 5.4 | 1.3 |
| CC(1/2) | 0.994 | 0.989 | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
