4YD0
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 65 |
Unit cell lengths | 80.789, 80.789, 54.256 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.290 - 2.620 |
R-factor | 0.1644 |
Rwork | 0.162 |
R-free | 0.21640 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data reduction software | PROCESS |
Data scaling software | PROCESS |
Phasing software | BUSTER-TNT |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.293 | 25.293 | 2.625 |
High resolution limit [Å] | 2.616 | 11.729 | 2.616 |
Rmerge | 0.042 | 0.017 | 0.374 |
Total number of observations | 28650 | 240 | 228 |
Number of reflections | 6117 | ||
<I/σ(I)> | 26.7 | ||
Completeness [%] | 98.8 | 97 | 89.9 |
Redundancy | 4.7 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 293 | 1 uL protein solution (2.8 mg/mL protein, 50 mM Tris, pH 8, 200 mM sodium chloride, 2 mM dithiothreitol, 1 mM anthraquinone-2,6-disulfonic acid disodium salt, 7.5 mM GTP) + 0.4 uL well solution (1.5 M sodium formate, 100 mM sodium citrate, pH 4.7, 10 mM dithiothreitol) suspended over 1 mL of well solution, crystals transferred to a soaking solution (3.25 M sodium formate, 100 mM sodium citrate, pH 4.7) containing 1 mM inhibitor, incubated approximately 15 hours at room temperature, and then transferred to a cryo-preservative solution (soaking solution with 25% v/v glycerol) prior to freezing in liquid nitrogen |