7FUT
PanDDA analysis group deposition -- PHIP in complex with Z44602357
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 | 82.112, 27.408, 56.437 |
| Unit cell angles | 90.00, 99.86, 90.00 |
Refinement procedure
| Resolution | 35.780 - 1.180 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.684 |
| 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] | 35.780 | 35.780 | 1.200 |
| High resolution limit [Å] | 1.180 | 6.470 | 1.180 |
| Rmerge | 0.043 | 0.074 | 0.275 |
| Rmeas | 0.048 | 0.083 | 0.377 |
| Rpim | 0.019 | 0.036 | 0.258 |
| Total number of observations | 174422 | 1629 | 421 |
| Number of reflections | 31774 | ||
| <I/σ(I)> | 28.7 | 62.7 | 0.9 |
| Completeness [%] | 77.3 | 99.4 | 17.2 |
| Redundancy | 5.5 | 5.7 | 1.2 |
| CC(1/2) | 0.994 | 0.982 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
