4AWG
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.570, 122.540, 129.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.100 - 2.600 |
| R-factor | 0.19376 |
| Rwork | 0.190 |
| R-free | 0.26172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w69 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.573 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.160 | 0.810 |
| Number of reflections | 27491 | |
| <I/σ(I)> | 9.5 | 2.14 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4.58 | 4.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 2.0 M AMMONIUM SULPHATE, 0.1 M BISTRIS PH5.5 |
