3HNT

CS-35 Fab complex with a linear, terminal oligoarabinofuranosyl tetrasaccharide from lipoarabinomannan

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	2008-06-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115872
Spacegroup name	C 1 2 1
Unit cell lengths	146.702, 95.787, 35.790
Unit cell angles	90.00, 102.52, 90.00

Refinement procedure

Resolution	39.810 - 1.800
R-factor	0.19925
Rwork	0.196
R-free	0.25508
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e4x 1f58
RMSD bond length	0.007
RMSD bond angle	1.114
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.100	0.318
Number of reflections	36601
<I/σ(I)>	10.2	2.3
Completeness [%]	87.6	87.6
Redundancy	2.7	2

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