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