3JUY
Crystal Structure of a 3B3 Variant, a Broadly Neutralizing HIV-1 scFv Antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 199.172, 115.130, 92.374 |
| Unit cell angles | 90.00, 111.76, 90.00 |
Refinement procedure
| Resolution | 29.752 - 2.500 |
| R-factor | 0.201 |
| Rwork | 0.195 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.192 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.124 | 0.069 | 0.411 |
| Number of reflections | 61604 | ||
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 92.3 | 98.6 | 65.8 |
| Redundancy | 2.7 | 3.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 6 | 292 | 20% w/v PEG-8000, 0.1 M MES, 0.2 M calcium acetate, pH 6.0, sitting drop, temperature 292K |
