7FVB
PanDDA analysis group deposition -- PHIP in complex with Z6617539657
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 | 81.942, 27.323, 56.450 |
| Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
| Resolution | 27.800 - 1.380 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21560 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7av9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.506 |
| 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] | 27.780 | 27.780 | 1.400 |
| High resolution limit [Å] | 1.380 | 7.560 | 1.380 |
| Rmerge | 0.113 | 0.063 | 1.467 |
| Rmeas | 0.124 | 0.070 | 1.740 |
| Rpim | 0.050 | 0.031 | 0.897 |
| Total number of observations | 155026 | 984 | 4707 |
| Number of reflections | 25706 | ||
| <I/σ(I)> | 14.3 | 59.5 | 0.9 |
| Completeness [%] | 99.8 | 98.4 | 97 |
| Redundancy | 6 | 5.5 | 3.9 |
| CC(1/2) | 0.933 | 0.996 | 0.380 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |
