9RPO

Crystal structure of DNPH1 bound by compound 3

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	2022-08-01
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.92124
Spacegroup name	P 61 2 2
Unit cell lengths	53.140, 53.140, 376.576
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.760 - 2.019
R-factor	0.2485
Rwork	0.247
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.840
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]	62.763	2.143
High resolution limit [Å]	2.019	2.019
Number of reflections	18462	924
<I/σ(I)>	19.1
Completeness [%]	93.6
Redundancy	15.4
CC(1/2)	0.998	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20 % PEG3350, 5 % ethanol, 0.1 M PCTP pH 7.5