8HY3

Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	198
Detector technology	PIXEL
Collection date	2021-12-30
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1
Spacegroup name	F 41 3 2
Unit cell lengths	273.952, 273.952, 273.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.618 - 1.952
R-factor	0.2276
Rwork	0.226
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.227
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.95188-19.6181)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.030	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.448
Rmeas	0.451
Rpim	0.051
Number of reflections	64779	6251
<I/σ(I)>	10.9
Completeness [%]	99.8
Redundancy	76.1
CC(1/2)		0.009

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	14%-18% (v/v) PEG 4000, 0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5