2PHF

Pterocarpus angolensis lectin complexed with Man-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	293
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	56.740, 83.330, 122.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
Rwork	0.180
R-free	0.21600
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	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.095	0.359
Number of reflections	34604
<I/σ(I)>	12.4	4.3
Completeness [%]	100.0	100
Redundancy	4.4	4.2

Crystallization Conditions

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