7V4S

Horcolin complex with methyl-alpha-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	42.840, 42.840, 139.201
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.128 - 1.200
Rwork	0.209
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x1v
RMSD bond length	0.016
RMSD bond angle	1.981
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.400	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.128	0.980
Rpim	0.038	0.289
Number of reflections	45978	6436
<I/σ(I)>	10.5	2.3
Completeness [%]	97.3	95
Redundancy	12	12
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000