3HNS

CS-35 Fab Complex with Oligoarabinofuranosyl Hexasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115872
Spacegroup name	C 1 2 1
Unit cell lengths	146.725, 96.234, 36.065
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	34.690 - 2.000
R-factor	0.17248
Rwork	0.170
R-free	0.21692
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e4x 1f58
RMSD bond length	0.007
RMSD bond angle	1.080
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.223
Number of reflections	29618
<I/σ(I)>	10.8	3.4
Completeness [%]	94.5	74.6
Redundancy	3.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	295	sodium citrate, magnesium chloride, TMAO, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 295K