5U6E
Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010
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 | 2014-08-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.181, 68.743, 94.749 |
| Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
| Resolution | 37.917 - 2.095 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dkq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmerge | 0.519 | |
| Number of reflections | 49455 | |
| <I/σ(I)> | 13.4 | 1.56 |
| Completeness [%] | 96.5 | 81 |
| Redundancy | 3.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 10-16% PEG 3350, 5% Iso-propanol, 0.1M HEPES, 7.4 |
