6TSO

Marasmius oreades agglutinin (MOA) inhibited by cadmium

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	2.0664
Spacegroup name	P 63 2 2
Unit cell lengths	120.752, 120.752, 99.541
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.300 - 2.100
Rwork	0.193
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ef2
RMSD bond length	0.010
RMSD bond angle	1.576
Data reduction software	XDS (28-Nov-2019)
Data scaling software	XDS (28-Nov-2019)
Phasing software	PHASER (7.0.078)
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.196	1.650
Rmeas	0.218	1.850
Rpim	0.094	0.818
Number of reflections	44615	1659
<I/σ(I)>	7.6
Completeness [%]	92.6	84.8
Redundancy	5.1
CC(1/2)	0.995	0.518

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, 0.2 M sodium acetate, 1 mM CdCl2, 10 mM CaCl2, 12.5% DMSO, 5 mM DTT