2R2B

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	2007-04-15
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.890, 81.660, 131.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.232
Rwork	0.231
R-free	0.25300
RMSD bond length	0.012
RMSD bond angle	1.406
Data scaling software	d*TREK (9.4SSI)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.920	19.920	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.044	0.029	0.267
Total number of observations		22561	19924
Number of reflections	63260
<I/σ(I)>	11.8	33.4	3.6
Completeness [%]	95.7	90.8	99.1
Redundancy	3.03	3.49	3.1

Crystallization Conditions

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