7U5V

Crystal structure of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and Borealin peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	105
Detector technology	PIXEL
Collection date	2022-02-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12705
Spacegroup name	P 32 2 1
Unit cell lengths	54.480, 54.480, 105.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.080 - 2.590
Rwork	0.248
R-free	0.30360
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	1.150
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.180	2.630
High resolution limit [Å]	2.590	2.590
Rmerge	0.103	1.169
Rmeas	0.114
Rpim	0.046	0.789
Number of reflections	5905	236
<I/σ(I)>	11.2	0.8
Completeness [%]	98.0	79.46
Redundancy	5.7
CC(1/2)	0.997	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	60% Tacsimate pH 7.0