5W7U
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928)
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 | 2016-06-07 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 90.746, 90.746, 135.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.084 - 2.200 |
R-factor | 0.2197 |
Rwork | 0.218 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.902 |
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 | 0.051 | 0.031 | 0.708 |
Rmeas | 0.054 | 0.033 | 0.760 |
Rpim | 0.017 | 0.011 | 0.270 |
Total number of observations | 135750 | ||
Number of reflections | 14588 | ||
<I/σ(I)> | 12.5 | ||
Completeness [%] | 98.9 | 97.3 | 91.8 |
Redundancy | 9.3 | 8.9 | 6.9 |
CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 0.1 M CAPSO pH 9.5, 1 M Ammonium Sulfate, 10 mM MnCl2, 10 mM MgCl2 |