7FV4
PanDDA analysis group deposition -- PHIP in complex with Z44602341
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 | 81.883, 27.236, 56.313 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 27.750 - 1.150 |
| R-factor | 0.1776 |
| Rwork | 0.177 |
| R-free | 0.19240 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.692 |
| 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] | 27.740 | 27.740 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.055 | 0.119 | 1.000 |
| Rmeas | 0.060 | 0.134 | 1.414 |
| Rpim | 0.024 | 0.059 | 1.000 |
| Total number of observations | 173323 | 1629 | 128 |
| Number of reflections | 32981 | ||
| <I/σ(I)> | 23.5 | 41.7 | 2.1 |
| Completeness [%] | 74.9 | 99 | 5.6 |
| Redundancy | 5.3 | 5.5 | 1 |
| CC(1/2) | 0.994 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
