5WDN
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6d (SRI-29680)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.168, 60.168, 94.443 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.991 - 2.100 |
R-factor | 0.2176 |
Rwork | 0.217 |
R-free | 0.23210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.504 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.078 | 0.055 | 0.679 |
Rmeas | 0.082 | 0.058 | 0.713 |
Rpim | 0.025 | 0.019 | 0.216 |
Total number of observations | 129170 | ||
Number of reflections | 12016 | ||
<I/σ(I)> | 15.1 | ||
Completeness [%] | 99.7 | 97.6 | 100 |
Redundancy | 10.7 | 9.8 | 10.7 |
CC(1/2) | 0.998 | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.8 M Succinic Acid pH 7.0, 2 mM MnCl2, 2 mM MgCl2 |