4DKU
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-09027
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 | 2011-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.232, 68.436, 93.967 |
| Unit cell angles | 90.00, 91.81, 90.00 |
Refinement procedure
| Resolution | 28.496 - 2.490 |
| R-factor | 0.2027 |
| Rwork | 0.200 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.871 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.067 | 0.309 |
| Number of reflections | 26599 | |
| <I/σ(I)> | 12.1 | 2.43 |
| Completeness [%] | 93.2 | 56.6 |
| Redundancy | 3.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% PEG 8000, 5% iso-propanol, 0.1M HEPES 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
