5T20

Crystal Structure of Tarin Lectin bound to Trimannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	78.280, 78.828, 92.935
Unit cell angles	76.19, 70.44, 59.80

Refinement procedure

Resolution	45.050 - 1.910
R-factor	0.2108
Rwork	0.209
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t1x
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.940
High resolution limit [Å]	1.910	5.180	1.910
Rmerge	0.085	0.052	0.352
Total number of observations	532647
Number of reflections	135823
<I/σ(I)>	6.5
Completeness [%]	97.3	99.5	83.6
Redundancy	3.9	3.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	25-35% Peg 3350, 0.2M Lithium Sulfate, 0.1M Hepes