6RRW

GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.915
Spacegroup name	P 21 21 21
Unit cell lengths	89.171, 91.671, 132.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.470 - 2.150
R-factor	0.2026
Rwork	0.200
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bub
RMSD bond length	0.009
RMSD bond angle	1.616
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.470	2.210
High resolution limit [Å]	2.150	2.150
Number of reflections	57896	4531
<I/σ(I)>	9.2	1.6
Completeness [%]	97.6	98.8
Redundancy	7	6.8
CC(1/2)	0.998	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M sodium succinate, pH 7.4 10 % PEG 3350 with microseeding