4AWK
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 75.060, 75.060, 120.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.010 - 1.900 |
| R-factor | 0.20971 |
| Rwork | 0.208 |
| R-free | 0.23568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w69 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.171 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.540 |
| Number of reflections | 16410 | |
| <I/σ(I)> | 22.2 | 2.95 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.09 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 25-30% PEG 4K, 0.1 M TRIS PH8.5, 0.2 M NACL |
