5G4B
Crystal structure of Aura virus capsid protein in complex with piperazine.
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 | 2013-10-31 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.256, 34.839, 49.169 |
| Unit cell angles | 90.00, 101.94, 90.00 |
Refinement procedure
| Resolution | 48.110 - 2.240 |
| R-factor | 0.20127 |
| Rwork | 0.199 |
| R-free | 0.26484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4agk |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.936 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.060 | 0.260 |
| Number of reflections | 4847 | |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 79.6 | 41.6 |
| Redundancy | 2.7 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M BIS-TRIS AND 22 % POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, pH 6.5 |
