6HT1

Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	48.842, 48.842, 133.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.860 - 2.100
R-factor	0.20296
Rwork	0.200
R-free	0.25204
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9s
RMSD bond length	0.015
RMSD bond angle	1.501
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.840	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.463
Rpim	0.027	0.185
Number of reflections	10098	956
<I/σ(I)>	13.2	3.4
Completeness [%]	100.0	100
Redundancy	7.8	7.6
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	25% PEG3350, 0.2M ammonium sulfate, 0.1M bis-tris pH 5.5 or 25% PEG Smear Medi-um, 0.1M citrate pH 5.5