4XNY
Crystal structure of broadly and potently neutralizing antibody VRC08C in complex with HIV-1 clade A strain Q842.d12 gp120
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 | 2013-03-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 |
| Unit cell lengths | 121.476, 121.476, 68.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.691 - 2.300 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xmp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.833 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1702) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.079 | 0.045 | 0.564 |
| Rmeas | 0.092 | 0.054 | 0.674 |
| Rpim | 0.047 | 0.029 | 0.364 |
| Total number of observations | 168055 | ||
| Number of reflections | 44444 | ||
| <I/σ(I)> | 11.9 | 1.9 | |
| Completeness [%] | 99.2 | 97.8 | 94.4 |
| Redundancy | 3.8 | 3.5 | 3.1 |
| CC(1/2) | 0.995 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 13% PEG 1500, 2% MPD, 0.1M Tris-HCl, pH 8.5 |
