5D7Y
Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 70 |
| Detector technology | CCD |
| Collection date | 2009-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 529.375, 367.411, 542.002 |
| Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
| Resolution | 35.682 - 3.894 |
| R-factor | 0.2626 |
| Rwork | 0.263 |
| R-free | 0.27320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qgt |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.682 | 3.950 |
| High resolution limit [Å] | 3.894 | 3.890 |
| Rmerge | 0.133 | 0.606 |
| Number of reflections | 826742 | |
| <I/σ(I)> | 12.71 | 1.48 |
| Completeness [%] | 93.7 | 77.8 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 5% PEG5000 MME, 5% PEG8000, 14% 2,3-butanediol, 100 mM Tris, pH 9.0, 150 mM sodium chloride, 300 mM potassium chloride |
