6EUY
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-04 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 49.461, 112.322, 201.088 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.031 - 3.000 |
R-factor | 0.2347 |
Rwork | 0.233 |
R-free | 0.26320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fmm |
RMSD bond length | 0.002 |
RMSD bond angle | 0.510 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.065 | 0.634 |
Number of reflections | 42728 | 6839 |
<I/σ(I)> | 9.36 | 1.45 |
Completeness [%] | 98.2 | 97.7 |
Redundancy | 4.8 | 4.7 |
CC(1/2) | 0.997 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Crystals were obtained with A/H3N2 double domain at 15 mg/ml in 20 mM Tris pH 8, 150 mM NaCl, 5% glycerol, 2 mM beta-mercaptoethanolmixed with 5 mM of VX-787 mixed with 0.2 M ammonium sulphate, 20% PEG3350 |