3I02

Crystal structure of S54-10 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	2007-12-14
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	64.980, 53.360, 142.230
Unit cell angles	90.00, 102.13, 90.00

Refinement procedure

Resolution	19.990 - 2.600
R-factor	0.2144
Rwork	0.211
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1Q9T
RMSD bond length	0.004
RMSD bond angle	1.026
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER (1.3.2)
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.990	19.990	2.690
High resolution limit [Å]	2.600	5.570	2.600
Rmerge	0.097	0.067	0.325
Number of reflections	28890
<I/σ(I)>		12.9	3.2
Completeness [%]	97.3	99	95.8
Redundancy	3.69	3.8	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K