8P3E

Crystal structure of glucocerebrosidase in complex with allosteric activator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	C 2 2 21
Unit cell lengths	110.310, 285.640, 91.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.610 - 1.750
R-factor	0.1915
Rwork	0.190
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.039	0.538
Number of reflections	278631	10430
<I/σ(I)>	18.4
Completeness [%]	98.8
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	2 M (NH4)2SO4, 0.1 M Bis-Tris pH 5.5