7FV0
PanDDA analysis group deposition -- PHIP in complex with Z44602337
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 | 2022-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.963, 27.256, 56.229 |
| Unit cell angles | 90.00, 99.76, 90.00 |
Refinement procedure
| Resolution | 55.420 - 1.210 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.19440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.574 |
| 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 | 1.230 |
| High resolution limit [Å] | 1.210 | 6.520 | 1.210 |
| Rmerge | 0.080 | 0.102 | 4.565 |
| Rmeas | 0.089 | 0.117 | 5.481 |
| Rpim | 0.037 | 0.055 | 2.988 |
| Total number of observations | 171204 | 1489 | 964 |
| Number of reflections | 29765 | ||
| <I/σ(I)> | 21.5 | 48.6 | 1.1 |
| Completeness [%] | 79.0 | 99.4 | 23.5 |
| Redundancy | 5.8 | 5.4 | 2.1 |
| CC(1/2) | 0.973 | 0.948 | 0.067 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
