4E5I
Crystal structure of avian influenza virus PAn bound to compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.332, 134.828, 126.544 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.135 - 2.944 |
| R-factor | 0.3224 |
| Rwork | 0.320 |
| R-free | 0.36830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5e |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.877 |
| 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] | 46.135 | 46.135 | 3.060 |
| High resolution limit [Å] | 2.944 | 6.350 | 2.944 |
| Rmerge | 0.071 | 0.030 | 0.488 |
| Number of reflections | 22442 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 96.6 | 99.8 | 74.4 |
| Redundancy | 8.4 | 8.6 | 5.3 |
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 |
