7FUZ
PanDDA analysis group deposition -- PHIP in complex with Z4307421429
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 | 81.988, 27.496, 56.333 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 40.400 - 1.430 |
| R-factor | 0.2608 |
| Rwork | 0.259 |
| R-free | 0.30010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.370 | 40.370 | 1.510 |
| High resolution limit [Å] | 1.430 | 4.520 | 1.430 |
| Rmerge | 0.093 | 0.038 | 1.650 |
| Rmeas | 0.103 | 0.042 | 1.899 |
| Rpim | 0.043 | 0.018 | 0.915 |
| Total number of observations | 127132 | 4229 | 13891 |
| Number of reflections | 23224 | ||
| <I/σ(I)> | 9.7 | 34.1 | 0.8 |
| Completeness [%] | 99.6 | 99.2 | 99.6 |
| Redundancy | 5.5 | 5.4 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
