4AVG
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2
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 | CCD |
| Collection date | 2010-02-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.590, 120.810, 128.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.960 - 2.200 |
| R-factor | 0.19868 |
| Rwork | 0.196 |
| R-free | 0.25227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w69 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.836 |
| 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 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 0.520 |
| Number of reflections | 45289 | |
| <I/σ(I)> | 14.7 | 2.44 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.51 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 25% PEG 3350, 0.1 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS, PH 5.5 |
