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 |