9DD0

Designed allosteric facilitated dissociation switch AS1 in complex state TH with methylated lysines, crystal #2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	62.977, 74.068, 211.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.090 - 3.880
R-factor	0.2314
Rwork	0.226
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_5246)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.240	4.080
High resolution limit [Å]	3.880	3.880
Rmerge	0.270	0.717
Rpim	0.091	0.246
Number of reflections	9716	2448
<I/σ(I)>	5.8	3.5
Completeness [%]	99.8	100
Redundancy	9.6	9.4
CC(1/2)	0.994	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.8 M Ammonium citrate tribasic pH 7.0