2GME

Metal-free (apo) P. angolensis seed lectin

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
Detector	MAR CCD 165 mm
Wavelength(s)	0.8123
Spacegroup name	P 21 21 21
Unit cell lengths	58.883, 62.000, 130.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.750
R-factor	0.195
Rwork	0.193
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ukg
RMSD bond length	0.005
RMSD bond angle	1.510
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	48243
Completeness [%]	98.0	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	10% PEG 6000, 20% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K