5K79
Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2015-07-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.840, 74.396, 36.499 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.580 - 1.600 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ezm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.086 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.580 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.136 | 0.800 |
| Number of reflections | 34474 | |
| <I/σ(I)> | 23.6 | 1.7 |
| Completeness [%] | 99.8 | 95.6 |
| Redundancy | 13.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 298 | 25% W/V POLYETHYLENE GLYCOL (PEG), 335015% ETHYLENE GLYCOL, 0.2 M MAGNESIUM CHLORIDE HEXAHYDRATE |
