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