7AS1
Influenza A PB2 (F404Y mutation) in complex with VX-787
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-18 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | P 1 |
| Unit cell lengths | 29.500, 37.250, 38.390 |
| Unit cell angles | 71.89, 69.80, 75.17 |
Refinement procedure
| Resolution | 34.930 - 1.500 |
| R-factor | 0.1516 |
| Rwork | 0.150 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p1u |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.877 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.930 | 34.930 | 1.540 |
| High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
| Rmerge | 0.035 | 0.038 | 0.093 |
| Rmeas | 0.042 | 0.045 | 0.131 |
| Total number of observations | 57452 | ||
| Number of reflections | 22637 | 247 | 1558 |
| <I/σ(I)> | 18.27 | 39.16 | 4.05 |
| Completeness [%] | 98.0 | 94.6 | 91.2 |
| Redundancy | 2.538 | 3.538 | 1.29 |
| CC(1/2) | 0.998 | 0.997 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | Magnesium chloride, Calcium chloride, Tris (base), BICINE, PEG 500, PEG 20000 |
