2R1W

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
Detector technology	IMAGE PLATE
Collection date	2006-01-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.680, 81.200, 131.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.221
Rwork	0.219
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9Q
RMSD bond length	0.014
RMSD bond angle	1.556
Data reduction software	d*TREK
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	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.050	0.032	0.295
Total number of observations		18069	15712
Number of reflections	51889
<I/σ(I)>	11.8	31.4	3.3
Completeness [%]	94.6	90.1	95.4
Redundancy	3.42	3.4	3.03

Crystallization Conditions

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