5IFD
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4721 1-(4-fluorophenyl)-1H-imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.99985 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 69.030, 69.030, 397.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.775 - 2.650 |
R-factor | 0.1776 |
Rwork | 0.175 |
R-free | 0.22590 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.828 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.775 | 47.775 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.087 | 0.032 | 0.525 |
Number of reflections | 17423 | ||
<I/σ(I)> | 15.26 | 32.57 | 3.31 |
Completeness [%] | 99.7 | 94.7 | 99.8 |
Redundancy | 5.2 | ||
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 20 mg/mL protein against Morpheus screen condition E10 with 10% PEG 8000, 20% EG, 0.03 M each ethylene glycol, 0.1 M bicine/Trizma pH 8.5, 5 mM soak over 4 days, unique puck ID lum0-5 |