6BE2

Crystal structure of a polysaccharide-binding human Fab (F598)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	88.837, 104.067, 104.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.914 - 1.700
R-factor	0.1724
Rwork	0.171
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lld 5eor 3mlx
RMSD bond length	0.005
RMSD bond angle	0.881
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.914	1.790
High resolution limit [Å]	1.690	1.690
Rmerge	0.051	0.689
Rmeas	0.055	0.877
Number of reflections	54253	8588
<I/σ(I)>	25.19	3.08
Completeness [%]	99.7	98.7
Redundancy	7.3	7.2
CC(1/2)	1.000	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG 4000, 20% iso-propanol, 0.1 M sodium citrate pH5.6