6Q1P

Glucocerebrosidase in complex with pharmacological chaperone norIMX8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-16
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	110.709, 284.709, 91.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.993 - 2.796
R-factor	0.201
Rwork	0.199
R-free	0.24040
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]	50.000	50.000	2.850
High resolution limit [Å]	2.796	7.590	2.800
Rmerge	0.161	0.062	0.552
Rmeas	0.176	0.069	0.638
Rpim	0.072	0.029	0.315
Number of reflections	36172	1935	1772
<I/σ(I)>	4.5
Completeness [%]	99.9	98.7	100
Redundancy	5.7	5.5	4
CC(1/2)		0.995	0.825

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