3BPC

co-crystal structure of S25-2 Fab in complex with 5-deoxy-4-epi-2,3-dehydro Kdo (4.8) Kdo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Detector technology	IMAGE PLATE
Collection date	2007-01-07
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	45.850, 81.290, 132.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.226
Rwork	0.224
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.723
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.970	19.970	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.073	0.049	0.228
Total number of observations		14350	17155
Number of reflections	44150
<I/σ(I)>	9	24	4
Completeness [%]	94.5	86.4	99.5
Redundancy	3.49	3.2	3.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8		PEG 4000, ethelyene glycol, pH 8.0, VAPOR DIFFUSION