3O5W

Binding of kinetin in the active site of mistletoe lectin I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.8162
Spacegroup name	P 65 2 2
Unit cell lengths	107.573, 107.573, 310.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.970 - 2.700
R-factor	0.17669
Rwork	0.174
R-free	0.22586
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m2t
RMSD bond length	0.021
RMSD bond angle	2.049
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.750
High resolution limit [Å]	2.700	7.220	2.700
Rmerge	0.139	0.036
Number of reflections	30058
<I/σ(I)>	6.1
Completeness [%]	99.3	99.1	99
Redundancy	8.9	7.9	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	2.5	293	1.0M ammonium sulphate, 0.2M glycine/HCl, pH 2.5, counter diffusion, temperature 293K