9S1N

Crystal structure of DNPH1 bound by compound 19

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	2023-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 21 21 2
Unit cell lengths	47.026, 84.522, 33.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 1.503
R-factor	0.2105
Rwork	0.210
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.261	1.655
High resolution limit [Å]	1.503	1.503
Number of reflections	14304	715
<I/σ(I)>	9.8
Completeness [%]	90.1
Redundancy	6.1
CC(1/2)	0.998	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 % PEG8000, 0.2 M ammonium sulfate, 0.1 M PCTP pH 5.5