9I58

Crystal structure of DNPH1 bound by compound 31.

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	2024-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95374
Spacegroup name	P 1
Unit cell lengths	36.686, 39.763, 48.280
Unit cell angles	92.53, 99.55, 113.45

Refinement procedure

Resolution	47.260 - 1.213
R-factor	0.2042
Rwork	0.203
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.180
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]	47.260	1.390
High resolution limit [Å]	1.210	1.210
Number of reflections	40307	2015
<I/σ(I)>	4.7
Completeness [%]	75.4
Redundancy	1.8
CC(1/2)	0.987	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 % PEG5000MME, 0.2 M ammonium sulfate, 0.1 M MES pH 6.5