9U64

Crystal structure of human glutaminyl cyclase in complex with Inhibitor CL21

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	2024-12-10
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97946
Spacegroup name	F 41 3 2
Unit cell lengths	277.712, 277.712, 277.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.910 - 2.266
R-factor	0.1796
Rwork	0.178
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pbb
RMSD bond length	0.031
RMSD bond angle	2.176
Data reduction software	autoPX
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.266	9.960	2.270
Number of reflections	42954	627	3093
<I/σ(I)>	27.5
Completeness [%]	100.0
Redundancy	73.52
CC(1/2)	0.999	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% to 25% PEG 4000;0.2 M MgCl2;0.1 M Tris-HCL pH 8.0