8RDF
Crystal structure of Haemophilus influenzae type b (Hib) DP3 oligosaccharide bound to Fab CA4
This is a non-PDB format compatible entry.
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 | 2020-10-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.965 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.928, 131.288, 144.964 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.640 - 2.740 |
R-factor | 0.2284 |
Rwork | 0.226 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.690 |
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] | 65.640 | 2.870 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.180 | 0.940 |
Number of reflections | 15060 | 2007 |
<I/σ(I)> | 5 | 1.2 |
Completeness [%] | 96.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.940 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.01M Nickel(II) chloride hexahydrate, 0.1M Tris pH 8.5, 20% w/v PEG 2000 MME |