2I60
Crystal structure of [Phe23]M47, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 GP120 envelope glycoprotein and anti-HIV-1 antibody 17B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.439, 157.765, 109.846 |
| Unit cell angles | 90.00, 93.74, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.400 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.28100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1yym |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 67879 | |
| <I/σ(I)> | 15.3 | 1.9 |
| Completeness [%] | 71.8 | 19.9 |
| Redundancy | 3.2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | PEG 4000, ISOPROPANOL, SODIUM citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
