8XGY

Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2023-06-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.722, 217.245, 242.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.122 - 2.810
R-factor	0.1891
Rwork	0.188
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.042
RMSD bond angle	2.116
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.750	2.960
High resolution limit [Å]	2.810	2.810
Rmerge	0.146	0.964
Rmeas	0.158	1.044
Rpim	0.061	0.399
Total number of observations	728923	106147
Number of reflections	108524	15631
<I/σ(I)>	11.2	2.4
Completeness [%]	100.0
Redundancy	6.7	6.8
CC(1/2)	0.996	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% -16% PEG 4000, 0.2M MgCl2, 0.1M Tris HCl, pH 8.5