9UD7

Crystal structure of human glutaminyl cyclase in complex with Inhibitor CL7

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	P 21 21 2
Unit cell lengths	159.430, 181.570, 89.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.824 - 2.490
R-factor	0.1614
Rwork	0.160
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pbb
RMSD bond length	0.032
RMSD bond angle	1.483
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.824	71.850	2.530
High resolution limit [Å]	2.490	6.760	2.490
Rmerge	0.275
Rmeas	0.286
Number of reflections	91785	4885	4534
<I/σ(I)>	9.6
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)		0.998	0.604

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