3OKO

Crystal structure of S25-39 in complex with Kdo(2.8)Kdo(2.4)Kdo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-03
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.441, 81.394, 129.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.649 - 2.450
R-factor	0.2132
Rwork	0.210
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.093
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.840	19.840	2.540
High resolution limit [Å]	2.450	5.250	2.450
Rmerge	0.064	0.035	0.303
Number of reflections	18149
<I/σ(I)>	10.4	21.3	3.2
Completeness [%]	99.6	99.4	99.4
Redundancy	4.05	3.9	4.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	6.5	289	PEG 3350, MPD, ZnAc, NaCacod, pH 6.5, hanging drop, temperature 289K