4DKQ
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228
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 | IMAGE PLATE |
| Collection date | 2011-01-01 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.741, 67.523, 89.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.351 - 1.888 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.869 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.888 | 1.890 |
| Rmerge | 0.080 | 0.368 |
| Number of reflections | 30727 | |
| <I/σ(I)> | 34.7 | 2.5 |
| Completeness [%] | 97.4 | 72.1 |
| Redundancy | 5.2 | 1.9 |
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 |
