4YDK
Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 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 | 2012-02-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.836, 109.686, 100.063 |
| Unit cell angles | 90.00, 126.26, 90.00 |
Refinement procedure
| Resolution | 24.253 - 2.051 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3se9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.754 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.072 | 0.030 | 0.462 |
| Rmeas | 0.084 | 0.035 | 0.553 |
| Rpim | 0.043 | 0.018 | 0.301 |
| Total number of observations | 252388 | ||
| Number of reflections | 67445 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 98.5 | 98.5 | 88.5 |
| Redundancy | 3.7 | 3.8 | 3.1 |
| CC(1/2) | 0.998 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 7.5% PEG 8000, 0.1M CHES, pH 9.5 |
