5W73
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835)
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 | 2017-04-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 89.843, 89.843, 135.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.236 - 2.202 |
R-factor | 0.2187 |
Rwork | 0.217 |
R-free | 0.24830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.820 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.056 | 0.030 | 0.938 |
Rmeas | 0.061 | 0.033 | 1.019 |
Rpim | 0.023 | 0.013 | 0.388 |
Total number of observations | 103386 | ||
Number of reflections | 14365 | 1560 | 1390 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 99.9 | 99.9 | 98.9 |
Redundancy | 7.2 | 6.7 | 6.6 |
CC(1/2) | 0.998 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.1 M HEPES pH 7.8, 1.0M Ammonium Sulfate, 10 mM MnCl2, 10 mM MgCl2, 1% PVP K15 |