2R23

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	2007-07-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.640, 81.380, 131.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.23
Rwork	0.228
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9Q
RMSD bond length	0.015
RMSD bond angle	1.567
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]	19.900	19.900	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.044	0.030	0.365
Total number of observations		27228	21081
Number of reflections	57118
<I/σ(I)>	13.5	40	3.1
Completeness [%]	95.8	86.7	96.3
Redundancy	4.42	4.89	3.71

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