3HZV

Crystal structure of S73-2 antibody in complex with antigen Kdo(2.8)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	2008-06-08
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.050, 80.800, 128.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.989 - 1.900
R-factor	0.214
Rwork	0.212
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9R
RMSD bond length	0.004
RMSD bond angle	0.942
Data reduction software	d*TREK
Data scaling software	d*TREK (9.1SSI)
Phasing software	PHASER (2.1.1)
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.990	19.990	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.072	0.037	0.353
Total number of observations		19106	17011
Number of reflections	38610
<I/σ(I)>		29.7	3.8
Completeness [%]	97.8	92.5	99.4
Redundancy	4.68	4.84	4.37

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