6TSM

Marasmius oreades agglutinin (MOA) in complex with the truncated PVVRAHS 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)	0.97239
Spacegroup name	P 63 2 2
Unit cell lengths	122.155, 122.155, 100.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.800 - 1.400
Rwork	0.179
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ef2
RMSD bond length	0.013
RMSD bond angle	0.876
Data reduction software	XDS (29-Nov-2019)
Data scaling software	XDS (29-Nov-2019)
Phasing software	REFMAC (7.0.078)
Refinement software	REFMAC (7.0.078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.145	5.335
Rmeas	0.152	5.489
Rpim	0.035	1.266
Number of reflections	87357	4152
<I/σ(I)>	11.6	0.362
Completeness [%]	99.8	97.2
Redundancy	19.2	17.8
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/HCl pH 6.5, 20% PEG 8000, 0.2 M sodium acetate, 10 mM CaCl2, 5 mM DTT