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 |