2R9K

Crystal Structure of Misteltoe Lectin I in Complex with Phloretamide

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	2005-06-23
Detector	MAR CCD 165 mm
Spacegroup name	P 65 2 2
Unit cell lengths	107.059, 107.059, 312.375
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.740 - 2.700
R-factor	0.22821
Rwork	0.226
R-free	0.26704
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m2t
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.290	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.600	0.060
Number of reflections	30327
<I/σ(I)>	3.6	3.6
Completeness [%]		100
Redundancy	6.3	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	2.5	293	pH 2.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K