8CB1

Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	96.750, 102.604, 129.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.730 - 1.750
R-factor	0.14384
Rwork	0.142
R-free	0.17490
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nn3
RMSD bond length	0.010
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (7.1.015)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.120	2.065
Rmeas	0.124	2.135
Rpim	0.031	0.537
Total number of observations	2029400
Number of reflections	129900	6355
<I/σ(I)>	14.1
Completeness [%]	100.0
Redundancy	15.6	15
CC(1/2)	0.999	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.9 M AMMONIUM SULPHATE, 0.1 M HEPES, 2% V/V PEG400