3HZK

Crystal structure of S73-2 antibody in complex with antigen 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	2007-11-24
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.340, 80.940, 128.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.752 - 2.150
R-factor	0.217
Rwork	0.214
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9R
RMSD bond length	0.006
RMSD bond angle	1.065
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER (2.1.1)
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.860	19.860	2.230
High resolution limit [Å]	2.150	4.610	2.150
Rmerge	0.061	0.034	0.296
Total number of observations		11909	12248
Number of reflections	25575
<I/σ(I)>		27.4	3.8
Completeness [%]	94.9	88.6	98.2
Redundancy	4.73	4.59	4.66

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