5IF8
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-2643 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
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 | 2014-05-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.99985 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 68.780, 68.780, 396.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.025 - 2.300 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.23150 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.872 |
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] | 41.025 | 41.025 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.042 | 0.017 | 0.504 |
Number of reflections | 25953 | ||
<I/σ(I)> | 29.97 | 76.11 | 3.94 |
Completeness [%] | 99.6 | 81 | 100 |
Redundancy | 6.9 | ||
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 20 mg/mL protein against Morpheus screen condition A2 10% PEG 8000, 20% EG, 0.03 M each divalent cation, 0.1 M MES/imidazole pH 6.5, crystal tracking ID 254988a2, unique puck ID wbm4-4 |