6T1O

Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6

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	2018-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	49.027, 49.027, 131.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.940 - 1.900
R-factor	0.2048
Rwork	0.202
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hq0
RMSD bond length	0.013
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.030	49.030	1.970
High resolution limit [Å]	1.900	7.360	1.900
Rmerge	0.077	0.051	0.418
Rmeas	0.090	0.055	0.459
Rpim	0.038	0.022	0.217
Number of reflections	13008	298	1212
<I/σ(I)>	8.7		2.6
Completeness [%]	97.5	99.9	94.8
Redundancy	4.8	5.9	4.5
CC(1/2)	0.991	0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	25% PEG 3350, 0.2M sodium chloride, 0.1M HEPES pH 7.5