9ELB

Structure of glucocerebrosidase in complex with a covalent inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541
Spacegroup name	C 2 2 21
Unit cell lengths	110.870, 284.907, 91.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 2.400
R-factor	0.2096
Rwork	0.207
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.556
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.087	0.369
Rpim	0.038	0.223
Number of reflections	57054	2554
<I/σ(I)>	14.6	2.9
Completeness [%]	99.6	99.5
Redundancy	4.8	3.3
CC(1/2)	0.995	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Bis-Tris pH 5.0, 1.6 M ammonium sulfate, and 3% (w/v) sucrose