7N19

DR3 in complex with Aspergillus nidulans NAD-dependent histone deacetylase hst4 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	74.461, 214.255, 74.554
Unit cell angles	90.00, 98.96, 90.00

Refinement procedure

Resolution	48.410 - 2.380
R-factor	0.2025
Rwork	0.200
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6a
RMSD bond length	0.009
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.540
High resolution limit [Å]	2.380	2.380
Number of reflections	90818	16544
<I/σ(I)>	10.86
Completeness [%]	98.5
Redundancy	2
CC(1/2)	0.994	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	18% w/v PEG20k, 0.1 M citrate pH 5.0