3IKC

Structure of S67-27 in Complex with Kdo(2.8)-7-O-methyl-Kdo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.240, 127.590, 155.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 2.600
R-factor	0.238
Rwork	0.235
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9w
RMSD bond length	0.004
RMSD bond angle	0.901
Data scaling software	d*TREK
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.960	19.960	2.690
High resolution limit [Å]	2.600	5.560	2.600
Rmerge	0.089	0.059	0.260
Total number of observations		11084	10741
Number of reflections	26726
<I/σ(I)>	8.5	13.8	3.5
Completeness [%]	91.7	91.6	97.8
Redundancy	3.91	3.83	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, MgCl2, pH 8.5, vapor diffusion, hanging drop, temperature 298K