4I3S
Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21
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 | 2012-06-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.647, 73.471, 109.292 |
| Unit cell angles | 90.00, 100.94, 90.00 |
Refinement procedure
| Resolution | 46.780 - 2.850 |
| R-factor | 0.2534 |
| Rwork | 0.248 |
| R-free | 0.31990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3se9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.930 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.225 | 0.900 |
| Number of reflections | 14947 | |
| <I/σ(I)> | 6.21 | 2.01 |
| Completeness [%] | 85.4 | 76.3 |
| Redundancy | 2 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 52.5% peg 400, 100 mM HEPES pH7.5, 200 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
