4AWM
Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with (-)-epigallocatechin gallate from green tea
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 | 2010-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 99.940, 99.940, 82.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.780 - 2.600 |
| R-factor | 0.22555 |
| Rwork | 0.223 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w69 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.181 |
| 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 | 0.150 | 0.840 |
| Number of reflections | 7797 | |
| <I/σ(I)> | 12.1 | 3.14 |
| Completeness [%] | 98.3 | 96.7 |
| Redundancy | 10.5 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 10% PEG 3350, 0.1 M NACL, 0.1 M HEPES PH 7 |
