4M7J

Crystal structure of S25-26 in complex with Kdo(2.8)Kdo(2.4)Kdo trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 32 2 1
Unit cell lengths	74.464, 74.464, 149.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.450 - 1.950
R-factor	0.2134
Rwork	0.212
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t2q
RMSD bond length	0.011
RMSD bond angle	1.482
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.064	0.046	0.556
Number of reflections	35967
<I/σ(I)>	11
Completeness [%]	99.9	99.5	100
Redundancy	13.7	12.9	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.2M potassium chloride, 0.05M HEPES, 35% (v/v) pentaerythritol propoxylate (5/4 PO/OH), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K