6EUW
Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an azaindazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0615 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.490, 62.490, 69.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.120 - 1.000 |
| R-factor | 0.14063 |
| Rwork | 0.139 |
| R-free | 0.16376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cb7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.587 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.120 | 1.060 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 74557 | 9463 |
| <I/σ(I)> | 12.61 | 1.46 |
| Completeness [%] | 94.0 | 70.8 |
| Redundancy | 4.46 | 2.04 |
| CC(1/2) | 0.996 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M di NaH phosphate and 20% PEG3350 |
