9DCZ

Designed allosteric facilitated dissociation switch AS1 in complex state TH with methylated lysines, crystal #1

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 61 2 2
Unit cell lengths	80.710, 80.710, 546.856
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.750 - 2.900
R-factor	0.213
Rwork	0.209
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.509
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]	34.750	2.940
High resolution limit [Å]	2.900	2.900
Rmerge	0.369	2.128
Rpim	0.067	0.369
Number of reflections	44094	3898
<I/σ(I)>	10.5	2.1
Completeness [%]	99.9	100
Redundancy	31.4	34.2
CC(1/2)	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4 M Sodium malonate pH 7.0