5WCT
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6c (SRI-29775)
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 | 2013-10-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 74.561, 74.561, 125.062 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.023 - 2.300 |
R-factor | 0.2206 |
Rwork | 0.219 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.883 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.107 | 0.066 | 0.990 |
Rmeas | 0.111 | 0.069 | 1.024 |
Rpim | 0.027 | 0.018 | 0.252 |
Number of reflections | 9479 | ||
<I/σ(I)> | 8.4 | ||
Completeness [%] | 97.6 | 96.2 | 88.7 |
Redundancy | 16.5 | 15.6 | 15 |
CC(1/2) | 0.998 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1 M LiCl, 0.1 M Na-Acetate, 24% PEG 6000, 0.1 M Tris pH 8.5 |