2PHX

Pterocarpus angolensis lectin (PAL) in complex with Man-5

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]	293
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.81
Spacegroup name	P 21 21 21
Unit cell lengths	56.830, 83.570, 122.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.800
Rwork	0.178
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q8p
RMSD bond length	0.006
RMSD bond angle	1.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.047
Number of reflections	54225
<I/σ(I)>	17.9
Completeness [%]	99.0	99
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	100 mM cacodylate pH 6.6, 200 mM CaCl2, 18% PEG-6000, 20 mM Man(a1-3)Man, VAPOR DIFFUSION, HANGING DROP, temperature 293K