8RDA
Crystal structure of Haemophilus influenzae type b (Hib) DP2 oligosaccharide bound to Fab CA4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.665, 131.588, 145.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.500 - 2.290 |
| R-factor | 0.2277 |
| Rwork | 0.226 |
| R-free | 0.27030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.619 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.500 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.162 | 1.164 |
| Number of reflections | 26582 | 1252 |
| <I/σ(I)> | 7.3 | 1.1 |
| Completeness [%] | 99.7 | 93.4 |
| Redundancy | 7.8 | 4.6 |
| CC(1/2) | 0.995 | 0.383 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.01M Zinc sulfate heptahydrate, 0.1M MES pH 6.5, 25% w/v PEG 500 MME |
