3HZM

Crystal structure of S73-2 antibody in complex with antigen 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	2007-11-24
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.000, 81.800, 127.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.653 - 1.800
R-factor	0.209
Rwork	0.207
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9R
RMSD bond length	0.011
RMSD bond angle	1.374
Data reduction software	d*TREK
Data scaling software	d*TREK (9.1SSI)
Phasing software	PHASER (1.3.2)
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.049	0.023	0.336
Total number of observations		21353	17993
Number of reflections	44182
<I/σ(I)>		41.9	3.8
Completeness [%]	96.9	99.5	93.4
Redundancy	4.45	4.41	4.25

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