4XMP
Crystal structure of broadly and potently neutralizing antibody VRC08 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 | 2013-02-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.713, 82.496, 163.066 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.499 - 1.783 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.20120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3se9 4j6r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.085 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.095 | 0.075 | 0.602 |
| Rmeas | 0.105 | 0.084 | 0.681 |
| Rpim | 0.043 | 0.038 | 0.311 |
| Total number of observations | 528269 | ||
| Number of reflections | 88301 | ||
| <I/σ(I)> | 10.3 | 2.32 | |
| Completeness [%] | 97.9 | 97.8 | 89.9 |
| Redundancy | 6 | 5 | 4.2 |
| CC(1/2) | 0.991 | 0.788 |
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 |
