4E5F
Crystal structure of avian influenza virus PAn bound to compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 126.568, 134.321, 126.712 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.086 - 2.392 |
R-factor | 0.2442 |
Rwork | 0.242 |
R-free | 0.28770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e5e |
RMSD bond length | 0.010 |
RMSD bond angle | 1.148 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.086 | 46.086 | 2.490 |
High resolution limit [Å] | 2.392 | 5.170 | 2.392 |
Rmerge | 0.072 | 0.039 | 0.488 |
Number of reflections | 42645 | ||
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 10.3 | 10 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 1.5 M ammonium sulfate, 2% PEG1500, 1 mM manganese chloride, 0.1 M Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |