9DD1

Designed allosteric facilitated dissociation switch AS1 in complex state THE with methylated lysines

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97936
Spacegroup name	P 43 21 2
Unit cell lengths	110.859, 110.859, 65.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.210 - 3.700
R-factor	0.2503
Rwork	0.247
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.390
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.210	3.930
High resolution limit [Å]	3.700	3.700
Rmerge	0.190	0.951
Rpim	0.057	0.280
Number of reflections	10334	1717
<I/σ(I)>	10.7	1.16
Completeness [%]	100.0	100
Redundancy	11.8	12.1
CC(1/2)	0.997	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1 M Citric acid pH 3.5 and 2.0 M Ammonium sulfate