3HZY

Crystal structure of S73-2 antibody in complex with antigen 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	2007-11-26
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.945, 81.966, 128.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.100
R-factor	0.219
Rwork	0.216
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9R
RMSD bond length	0.006
RMSD bond angle	0.944
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.094	0.086	0.220
Total number of observations		13828	13265
Number of reflections	28056
<I/σ(I)>		13.8	4.8
Completeness [%]	96.6	90.3	98.6
Redundancy	4.4	4.44	4.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 4000, Ethylene glycol, ZnCl2, MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K