6SYI
C-TERMINAL DOMAIN OF INFLUENZA POLYMERASE PA SUBUNIT AND OPTIMIZED SMALL PEPTIDE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.521, 120.883, 122.626 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.400 - 1.600 |
R-factor | 0.1922 |
Rwork | 0.191 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2znl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.423 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.043 | 43.043 | 1.690 |
High resolution limit [Å] | 1.600 | 4.770 | 1.600 |
Rmerge | 0.073 | 0.026 | 2.658 |
Rmeas | 0.080 | 0.028 | 2.897 |
Total number of observations | 491165 | ||
Number of reflections | 74825 | 3056 | 11766 |
<I/σ(I)> | 13.42 | 58.47 | 0.66 |
Completeness [%] | 99.7 | 99.3 | 98.2 |
Redundancy | 6.564 | 6.249 | 6.284 |
CC(1/2) | 0.999 | 0.999 | 0.276 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES; pH 7.5, 35% PEG 3350 |