36YY

Crystal structure of DUF190 bound to ATP

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	294
Detector technology	PIXEL
Collection date	2025-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	50.309, 52.779, 66.740
Unit cell angles	90.52, 89.95, 115.49

Refinement procedure

Resolution	45.410 - 1.900
R-factor	0.2338
Rwork	0.232
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.648
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	47464	4635
<I/σ(I)>	105.8
Completeness [%]	97.3
Redundancy	3.9
CC(1/2)	0.969	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	20% PEG 1500, 20% v/v glycerol