4KA2
Crystal structure of CD4-mimetic miniprotein M48U12 in complex with HIV-1 YU2 gp120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.372, 163.441, 78.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.480 - 1.790 |
| R-factor | 0.17 |
| Rwork | 0.167 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.372 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.792 | 1.900 |
| Rmerge | 0.128 | 0.542 |
| Number of reflections | 30289 | |
| <I/σ(I)> | 12.4 | 1.3 |
| Completeness [%] | 92.3 | 52 |
| Redundancy | 5.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 298 | 9.0% PEG 4000, 14.0% isopropanol, 100 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
