3OKD

Crystal structure of S25-39 in complex with 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	2010-05-27
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.747, 82.011, 131.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.976 - 1.800
R-factor	0.2355
Rwork	0.233
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.243
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]	19.980	19.980	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.062	0.045	0.297
Number of reflections	46591
<I/σ(I)>	9.5	20.8	3.2
Completeness [%]	99.4	96.5	100
Redundancy	3.65	3.49	3.42

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