2R1X

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.940, 81.490, 131.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.600
R-factor	0.218
Rwork	0.217
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.542
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]	19.910	19.910	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.035	0.020	0.285
Total number of observations		32463	14735
Number of reflections	76352
<I/σ(I)>	15.9	54.9	2.7
Completeness [%]	95.7	90.3	84.6
Redundancy	3.28	4.25	2.21

Crystallization Conditions

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