6DWI
Structure of the 4462 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.573, 114.097, 128.301 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 29.890 - 2.390 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kvn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.093 | 0.481 |
| Number of reflections | 138384 | 13635 |
| <I/σ(I)> | 13.3 | 2.3 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M Citric Acid, pH 3.5 containing 25% PEG3350 |
