5WFW
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10j (SRI-30026)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-20 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.425, 90.425, 133.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.970 - 2.292 |
R-factor | 0.2134 |
Rwork | 0.213 |
R-free | 0.22350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.609 |
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 | 2.370 |
High resolution limit [Å] | 2.290 | 4.930 | 2.290 |
Rmerge | 0.089 | 0.051 | |
Rmeas | 0.094 | 0.054 | |
Rpim | 0.030 | 0.017 | 0.473 |
Total number of observations | 127531 | ||
Number of reflections | 12813 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 10 | 9.6 | 8 |
CC(1/2) | 0.999 | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 291 | 1 M Ammonium sulfate, 0.1 M CAPSO pH 9.4, 50 mM MnCl2, 50 mM MgCl2 |