6YH0

Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate

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	2015-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972385
Spacegroup name	P 63 2 2
Unit cell lengths	121.244, 121.244, 99.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.882 - 1.560
Rwork	0.174
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ef2
RMSD bond length	0.013
RMSD bond angle	1.824
Data reduction software	XDS (Mar 15, 2019 BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC (5.8.0258)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.000	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.048	1.000
Rmeas	0.166	1.000
Rpim	0.037	1.000
Number of reflections	61848	3023
<I/σ(I)>	12.3
Completeness [%]	100.0	100
Redundancy	19.6	15
CC(1/2)	0.999	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1 M Cacodylate pH 6.5, 0.2 M Sodium acetate, 22% PEG 8000, 10 mM CaCl2, 5 mM DTT