5M63
Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 135.341, 142.231, 144.732 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.020 - 2.740 |
| R-factor | 0.23784 |
| Rwork | 0.236 |
| R-free | 0.28218 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jo1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.564 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.020 | 2.838 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.776 | |
| Number of reflections | 36702 | |
| <I/σ(I)> | 12.12 | 1.45 |
| Completeness [%] | 99.0 | 96 |
| Redundancy | 4.5 | 4.1 |
| CC(1/2) | 0.998 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | 0.1 M Cadmium chloride hemi (pentahydrate), 30% (v/v) PEG 400, 0.1 M sodium acetate, pH 4.6 (Structure Screen 1 & 2 HT-96; Molecular Dimensions) |
