5WEF
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
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 | 2016-10-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 73.878, 73.878, 127.282 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.475 - 2.000 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.336 |
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 | 2.070 |
High resolution limit [Å] | 1.990 | 4.310 | 2.000 |
Rmerge | 0.091 | 0.050 | |
Rmeas | 0.094 | 0.052 | |
Rpim | 0.026 | 0.014 | 0.332 |
Number of reflections | 14725 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 13.8 | 12.9 | 13.7 |
CC(1/2) | 0.999 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Tris pH 8.5, 30% PEG 4000, 0.2 M MgCl2, 2 mM MnCl2 |