4CE8

Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-01
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	52.480, 72.490, 54.610
Unit cell angles	90.00, 94.10, 90.00

Refinement procedure

Resolution	36.463 - 0.900
R-factor	0.1255
Rwork	0.125
R-free	0.14050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uzv
RMSD bond length	0.015
RMSD bond angle	1.359
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	ACORN
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.550
High resolution limit [Å]	0.900	0.900
Rmerge	0.080	0.680
Number of reflections	291511
<I/σ(I)>	8.2	1.8
Completeness [%]	97.1	94.7
Redundancy	3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			ALL SALTS EXCHANGED 3X AGAINST D2O. 0,1 M TRIS PD 8.5, 1.75M (ND4)2SO4, 2MM CACL2, 2MM MGCL2. 10 MG/ML PROTEIN PRE-INCUBATED IN 2MM CACL2 AND 250 MG/L L-FUCOSE. HANGING DROP METHOD.