6Q1N

Glucocerebrosidase in complex with pharmacological chaperone IMX8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-08
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	109.935, 285.060, 91.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.923 - 2.526
R-factor	0.1971
Rwork	0.195
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.560
High resolution limit [Å]	2.520	6.810	2.520
Rmerge	0.078	0.062	0.376
Rmeas	0.088	0.069	0.476
Rpim	0.038	0.029	0.287
Total number of observations	218036
Number of reflections	48354	2590	2377
<I/σ(I)>	9.5
Completeness [%]	99.7	100	98.8
Redundancy	4.5	5.4	2.5
CC(1/2)		0.993	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.5 M (NH4)2SO4, 0.1 M Bis Tris (pH 4.9) containing 0.1 M CsCl