5IF5
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to EBSI-39 (2,3-dichlorophenyl)methanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978720 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 68.430, 68.430, 395.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.436 - 2.250 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.852 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2666: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 47.436 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.101 | 0.067 | 0.491 |
Number of reflections | 27497 | ||
<I/σ(I)> | 12.91 | 22.49 | 4.15 |
Completeness [%] | 99.9 | 96.8 | 100 |
Redundancy | 5.2 | ||
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 20 mg/mL protein against Morpheus D10 with 10% PEG 8000, 20% EG, 0.02 M each alcohol, 0.1 M bicine/Trisma base pH 8.5, crystal tracking ID 263964d10, unique puck ID pyl5-5 |