7FV6
PanDDA analysis group deposition -- PHIP in complex with Z1334218055
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 | 81.922, 27.440, 56.469 |
| Unit cell angles | 90.00, 99.90, 90.00 |
Refinement procedure
| Resolution | 55.630 - 1.190 |
| R-factor | 0.1759 |
| Rwork | 0.175 |
| R-free | 0.19030 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.625 |
| 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] | 55.630 | 55.630 | 1.210 |
| High resolution limit [Å] | 1.190 | 6.520 | 1.190 |
| Rmerge | 0.096 | 0.167 | 0.439 |
| Rmeas | 0.107 | 0.193 | 0.613 |
| Rpim | 0.045 | 0.094 | 0.427 |
| Total number of observations | 172626 | 1417 | 561 |
| Number of reflections | 33704 | ||
| <I/σ(I)> | 20.6 | 40 | 2.6 |
| Completeness [%] | 84.0 | 99.8 | 22.6 |
| Redundancy | 5.1 | 5.1 | 1.3 |
| CC(1/2) | 0.970 | 0.918 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
