9I3Q

Crystal structure of DNPH1 bound by compound 2.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95373
Spacegroup name	P 1
Unit cell lengths	36.717, 39.605, 48.520
Unit cell angles	91.96, 99.92, 114.71

Refinement procedure

Resolution	47.460 - 1.597
R-factor	0.2097
Rwork	0.207
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.460	1.887
High resolution limit [Å]	1.597	1.597
Number of reflections	13312	666
<I/σ(I)>	3.6
Completeness [%]	79.9
Redundancy	2.7
CC(1/2)	0.989	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25 % PEG3350, 0.2 M MgCl2, 0.1 M Bis-Tris pH 6.5