6TSL

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	2014-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97908
Spacegroup name	P 63 2 2
Unit cell lengths	121.918, 121.918, 99.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 1.400
Rwork	0.187
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ef2
RMSD bond length	0.013
RMSD bond angle	0.837
Data reduction software	XDS (29-Nov-2019)
Data scaling software	XDS (29-Nov-2019)
Phasing software	REFMAC (7.0.078)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.097	7.367
Rmeas	0.103	8.292
Rpim	0.033
Number of reflections	86228	4078
<I/σ(I)>	10.7	0.3
Completeness [%]	99.7	93.7
Redundancy	9.7	9.3
CC(1/2)	0.999	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1 M Na-acetate pH 5.0, 18% PEG 8000, 0.25 M sodium acetate, 10 mM CaCl2, 5 mM DTT