5DQD

Structure of S55-5 Fab 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	IMAGE PLATE
Collection date	2013-04-30
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9794
Spacegroup name	P 2 21 21
Unit cell lengths	56.385, 64.793, 129.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.090 - 1.940
R-factor	0.175
Rwork	0.172
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m93 4ods
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.010
High resolution limit [Å]	1.938	1.940
Rmerge	0.111	0.478
Total number of observations	204429
Number of reflections	36075
<I/σ(I)>	7.8	3.93
Completeness [%]	100.0	99.9
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289.15	1.0M LICL, 0.1M CITRIC ACID, AND 20% (W/V) PEG 6000, PH 5.0, VAPOR DIFFUSION, HANGING DROP,