9I9Q

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	2025-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95374
Spacegroup name	P 43 21 2
Unit cell lengths	74.887, 74.887, 253.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.230 - 1.721
R-factor	0.2262
Rwork	0.226
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.850
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.811	1.893
High resolution limit [Å]	1.721	1.721
Number of reflections	55740	2787
<I/σ(I)>	16.9
Completeness [%]	95.4
Redundancy	15.1
CC(1/2)	0.998	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15 % PEG8000, 0.1 M PCTP pH 8.5