3IJY

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.910, 128.540, 155.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.987 - 2.850
R-factor	0.239
Rwork	0.237
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9w
RMSD bond length	0.003
RMSD bond angle	0.702
Data scaling software	d*TREK
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.990	19.990	2.950
High resolution limit [Å]	2.850	6.090	2.850
Rmerge	0.107	0.058	0.279
Total number of observations		8488	8507
Number of reflections	21232
<I/σ(I)>	7.6	14.9	3.5
Completeness [%]	95.6	94.2	94.8
Redundancy	3.8	3.66	4.01

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