2FMD

Structural basis of carbohydrate recognition by Bowringia milbraedii seed agglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-08
Detector	MARRESEARCH
Wavelength(s)	0.8123
Spacegroup name	I 2 2 2
Unit cell lengths	66.603, 86.351, 91.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.900
R-factor	0.186
Rwork	0.183
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q8s CHAIN A
RMSD bond length	0.008
RMSD bond angle	1.674
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	15.000
High resolution limit [Å]	1.900
Rmerge	0.095
Number of reflections	18493
Completeness [%]	87.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15% PEG 20000, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K