3EHN

BT1043 with N-acetyllactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	150
Detector technology	CCD
Collection date	2008-03-20
Detector	SBC-3
Wavelength(s)	0.97167
Spacegroup name	P 21 3
Unit cell lengths	156.090, 156.090, 156.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.196
R-free	0.24600
RMSD bond length	0.007
RMSD bond angle	1.329
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	32650
<I/σ(I)>	20.5	3.4
Completeness [%]	98.4	90.6
Redundancy	8.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	12-14% polyethylene glycol 4000, 50mM Na/K phosphate, 100mM succinate, 120mM N-acetyllactosamine, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K