4K0O

F17b-G lectin domain with bound GlcNAc(beta1-3)Gal

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	2005-04-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.8128
Spacegroup name	P 62
Unit cell lengths	87.646, 87.646, 57.022
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.823 - 2.150
R-factor	0.1756
Rwork	0.168
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bs8
RMSD bond length	0.005
RMSD bond angle	0.889
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	2.230
High resolution limit [Å]	2.150	4.635	2.150
Rmerge	0.069	0.052	0.210
Number of reflections	13775
<I/σ(I)>	21.5
Completeness [%]	99.9	99.8	99.6
Redundancy	24.8	25.2	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1.2M lithium sulphate, 10mM nickel chloride, 100mM TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K