5IFB
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4719 5-chloro-2-(1H-imidazol-1-yl)aniline
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 | 68.920, 68.920, 396.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.685 - 2.450 |
R-factor | 0.1781 |
Rwork | 0.175 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4iuj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.946 |
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] | 47.685 | 47.685 | 2.510 |
High resolution limit [Å] | 2.450 | 10.960 | 2.450 |
Rmerge | 0.089 | 0.025 | 0.515 |
Number of reflections | 21735 | ||
<I/σ(I)> | 14.58 | 34.48 | 3.03 |
Completeness [%] | 99.6 | 92.5 | 100 |
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 Trizma/bicine pH 8.5, crystal tracking ID 256486e10, unique puck ID lum0-1 |