9LZV

Crystal structure of human glutaminyl cyclase in complex with Inhibitor M-42

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	2024-10-11
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1.0000
Spacegroup name	P 21 2 21
Unit cell lengths	186.610, 88.770, 156.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.061 - 2.330
R-factor	0.2009
Rwork	0.200
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.714
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	8.870	2.070
High resolution limit [Å]	2.010	6.320	2.010
Rmerge		0.179
Number of reflections	110213	3439	11590
<I/σ(I)>	5.13	14.35	0.51
Completeness [%]	98.5
Redundancy	12.35
CC(1/2)	0.951	0.986	0.027

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-25%(V/V)PEG4000,0.2M MgCl2,0.1M Tris-HCl(pH 8.5)