2Y9F

High-resolution Structural Insights on the Sugar-recognition and Fusion Tag Properties of a Versatile b-Trefoil Lectin Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	34.580, 59.540, 61.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.160 - 1.470
R-factor	0.1593
Rwork	0.158
R-free	0.19372
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w3a
RMSD bond length	0.030
RMSD bond angle	2.315
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.550
High resolution limit [Å]	1.470	1.470
Rmerge	0.070	0.320
Number of reflections	22387
<I/σ(I)>	16.9	5.4
Completeness [%]	99.5	98.4
Redundancy	6.3	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		12% (W/V) PEG 4000, 100 MM TRIS-HCL, PH 8.5, 150 MM SODIUM ACETATE