5IEF

Murine endoplasmic reticulum alpha-glucosidase II with N-butyl-1-deoxynojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	103.840, 172.890, 62.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.720 - 2.380
R-factor	0.1875
Rwork	0.186
R-free	0.21760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5f0e
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.840	2.510
High resolution limit [Å]	2.380	2.380
Number of reflections	44500
<I/σ(I)>	5.6	0.9
Completeness [%]	95.9	99.8
Redundancy	4.9	5
CC(1/2)	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	21% v/v ethylene glycol, 11% w/v PEG 8000 (from the Morpheus Precipitant Mix 2), 50 mM Morpheus carboxylic acids mix, 100 mM Morpheus buffer system 1 pH 6.25