9KMB

Crystal structure of human glutaminyl cyclase in complex with N-(2-(1H-imidazol-5-yl)ethyl)-4-methoxybenzenesulfonamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2024-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	106.575, 147.170, 160.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.562 - 2.280
R-factor	0.2181
Rwork	0.216
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.339
Data reduction software	autoPX
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.571	2.337
High resolution limit [Å]	2.280	2.280
Rmeas	0.221
Rpim	0.064	0.801
Number of reflections	57541	57529
<I/σ(I)>	15.56
Completeness [%]	99.8
Redundancy	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% to 35% PEG 8000, 0.1 M lithium sulphate, 0.05M sodium acetate(pH 4.5)