4ODS
Unliganded Fab structure of lipid A-specific antibody S55-3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-06-06 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.611, 44.330, 85.362 |
| Unit cell angles | 90.00, 111.56, 90.00 |
Refinement procedure
| Resolution | 79.390 - 1.940 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FV FRAGMENT FROM PDB ENTRY 3S35 CONSTANT DOMAINS FROM PDB ENTRY 1NBV |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.458 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.390 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.061 | 0.427 |
| Number of reflections | 33609 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 95.3 | 92.2 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 289 | Drop: 0.05M Glycine, 4% (w/v) PEG 3350 Reservoir: 24% (w/v) PEG 3350, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
