2R1Y

Crystal structure of S25-2 Fab in complex with Kdo analogues

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.740, 81.420, 131.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.600
R-factor	0.23
Rwork	0.229
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.461
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	19.940	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.051	0.035	0.324
Total number of observations		27595	22970
Number of reflections	64881
<I/σ(I)>	11.4	32.7	3.1
Completeness [%]	98.8	94.2	100
Redundancy	4.19	4.15	3.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	300	PEG 4000, ethelyene glycol, pH 8.0, VAPOR DIFFUSION, temperature 300K