5DQ9
Structure of S55-3 Fab in complex with Lipid A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-04-30 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 338.121, 52.865, 75.391 |
| Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.950 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ods |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.472 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.092 | 0.050 | 0.577 |
| Total number of observations | 385955 | ||
| Number of reflections | 94048 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 98.7 | 98.8 | 98.7 |
| Redundancy | 4.1 | 3.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 1M LiCl, 0.1M citric acid, and 20% (w/v) PEG 6000 |
