3OKN

Crystal structure of S25-39 in complex with Kdo(2.4)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	2010-06-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.692, 82.022, 130.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.086 - 2.150
R-factor	0.2172
Rwork	0.214
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.771
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]	19.960	19.960	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.042	0.024	0.285
Number of reflections	27290
<I/σ(I)>	12.5	35.2	3.2
Completeness [%]	99.4	96.6	100
Redundancy	3.33	3.11	3.37

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