7FV7
PanDDA analysis group deposition -- PHIP in complex with Z1929967066
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 | 81.886, 27.518, 56.266 |
| Unit cell angles | 90.00, 99.84, 90.00 |
Refinement procedure
| Resolution | 55.440 - 1.250 |
| R-factor | 0.1955 |
| Rwork | 0.194 |
| R-free | 0.22360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.509 |
| 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 | 1.270 |
| High resolution limit [Å] | 1.250 | 6.840 | 1.250 |
| Rmerge | 0.099 | 0.074 | 2.017 |
| Rmeas | 0.110 | 0.085 | 2.495 |
| Rpim | 0.048 | 0.040 | 1.445 |
| Total number of observations | 169612 | 1301 | 1689 |
| Number of reflections | 29107 | ||
| <I/σ(I)> | 19.1 | 69.9 | 1.2 |
| Completeness [%] | 84.1 | 99.3 | 33.7 |
| Redundancy | 5.8 | 5.4 | 3 |
| CC(1/2) | 0.969 | 0.980 | 0.165 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
