5NN5

Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.872600
Spacegroup name	P 21 21 21
Unit cell lengths	97.486, 102.972, 129.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.860 - 2.000
R-factor	0.18509
Rwork	0.183
R-free	0.21809
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nn3
RMSD bond length	0.009
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.860	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.169	0.549
Rpim	0.125	0.426
Number of reflections	83609	4552
<I/σ(I)>	6.2	2
Completeness [%]	95.3	95.5
Redundancy	3.1	3
CC(1/2)	0.965	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.9 M ammonium sulphate, 0.1 M HEPES pH 7.0, 2% v/v PEG400