4ODV

Fab Structure of lipid A-specific antibody A6 in complex with lipid A carbohydrate backbone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	37.563, 64.285, 154.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.830 - 2.150
R-factor	0.2067
Rwork	0.204
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4odt
RMSD bond length	0.011
RMSD bond angle	1.564
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.230
High resolution limit [Å]	2.150	4.620	2.150
Rmerge	0.085	0.061	0.404
Number of reflections	21071
<I/σ(I)>	12.8
Completeness [%]	99.7	99.5	99.1
Redundancy	4.9	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES pH 7.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K