6HT0

Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94

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	48.754, 48.754, 132.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.770 - 1.800
R-factor	0.19738
Rwork	0.196
R-free	0.23045
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9s
RMSD bond length	0.016
RMSD bond angle	1.522
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]	45.770	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.774
Rpim	0.020	0.263
Number of reflections	15693	9265
<I/σ(I)>	17.6	2.6
Completeness [%]	100.0	100
Redundancy	10	10.3
CC(1/2)	0.999	0.884

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