8B97

N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.939
Spacegroup name	P 21 21 2
Unit cell lengths	52.472, 61.026, 44.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.550 - 0.970
R-factor	0.1411
Rwork	0.141
R-free	0.15240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y9f
RMSD bond length	0.006
RMSD bond angle	1.145
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.550	1.020
High resolution limit [Å]	0.970	0.970
Rmeas	0.080
Rpim	0.021	0.071
Number of reflections	82583	9744
<I/σ(I)>	31.4	10.9
Completeness [%]	97.0	80.1
Redundancy	12.4	9.1
CC(1/2)	0.998	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% (w/v) PEG 6000, 0.1 M sodium acetate, pH 5.0, and 0.2 M ammonium chloride