7FVR
PanDDA analysis group deposition -- PHIP in complex with Z166737374
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 | 81.959, 27.522, 56.383 |
| Unit cell angles | 90.00, 99.89, 90.00 |
Refinement procedure
| Resolution | 27.790 - 1.190 |
| R-factor | 0.1808 |
| Rwork | 0.179 |
| R-free | 0.20890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.633 |
| 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] | 27.790 | 27.790 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.051 | 0.055 | 0.408 |
| Rmeas | 0.056 | 0.061 | 0.566 |
| Rpim | 0.023 | 0.027 | 0.392 |
| Total number of observations | 174325 | 1585 | 558 |
| Number of reflections | 32989 | ||
| <I/σ(I)> | 18.9 | 70.8 | 0.6 |
| Completeness [%] | 81.9 | 98.9 | 20.9 |
| Redundancy | 5.3 | 5.8 | 1.4 |
| CC(1/2) | 0.995 | 0.982 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
