4PB1
Structure of vcCNT-7C8C bound to ribavirin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 63 |
| Unit cell lengths | 119.749, 119.749, 83.638 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.197 - 2.803 |
| R-factor | 0.2238 |
| Rwork | 0.222 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tij |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.709 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.114 | 0.078 | 0.758 |
| Total number of observations | 117518 | ||
| Number of reflections | 16852 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.8 | 98.5 | 100 |
| Redundancy | 7 | 7.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7.5 | 290 | 37-42% PEG 400, 100 mM CaCl2 |
