4AGJ
Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-03 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.434, 35.425, 49.171 |
| Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
| Resolution | 48.170 - 1.980 |
| R-factor | 0.18319 |
| Rwork | 0.179 |
| R-free | 0.26757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kxa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.926 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 7989 | |
| <I/σ(I)> | 20.34 | 2 |
| Completeness [%] | 83.9 | 33.6 |
| Redundancy | 3.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BIS-TRIS AND POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000 |
