6TSR

Marasmius oreades agglutinin (MOA) activated by manganese (II) and calcium

This is a non-PDB format compatible entry.

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	2012-10-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.85051
Spacegroup name	P 63 2 2
Unit cell lengths	121.569, 121.569, 99.584
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 1.850
Rwork	0.152
R-free	0.17550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ef2
RMSD bond length	0.014
RMSD bond angle	0.954
Data reduction software	XDS (March 15, 2012)
Data scaling software	XDS (March 15, 2012)
Phasing software	PHASER (7.0.078)
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.061	0.492
Rmeas	0.055	0.677
Rpim	0.030	0.463
Number of reflections	68797	1973
<I/σ(I)>	22.8
Completeness [%]	97.5	87.3
Redundancy	3.2	2.6
CC(1/2)	0.998	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1 M cacodylate/HCl pH 6.5, 16% PEG 8000, 0.15M sodium acetate, 10 mM MnCl2, 10 mM CaCl2, 12.5% DMSO, 5mM DTT