9I57

Crystal structure of DNPH1 bound by compound 39.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97629
Spacegroup name	P 1
Unit cell lengths	37.134, 39.877, 48.418
Unit cell angles	91.78, 100.11, 114.85

Refinement procedure

Resolution	17.570 - 1.217
R-factor	0.1819
Rwork	0.180
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.190
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]	35.940	1.380
High resolution limit [Å]	1.217	1.220
Number of reflections	39210	1937
<I/σ(I)>	8.8
Completeness [%]	75.4
Redundancy	1.7
CC(1/2)	0.997	0.283

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