6YJY

Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	119.274, 119.274, 334.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.991 - 1.670
R-factor	0.1704
Rwork	0.169
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2afm
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.991	100.000	1.770
High resolution limit [Å]	1.670	50.000	1.670
Rmerge	0.057	0.011	3.177
Rmeas	0.058	0.016	3.260
Total number of observations	2160103
Number of reflections	106183	5	16805
<I/σ(I)>	30.62	31.66	1.08
Completeness [%]	99.9	62.5	99.7
Redundancy	20.343	2	19.74
CC(1/2)	1.000	1.000	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.6M ammonium sulfate, 0.1M MES pH 6.5, 4% (v/v) 1,4-Dioxane