6T1J

Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 2

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	2018-09-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	49.152, 49.152, 131.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.020 - 1.970
R-factor	0.226
Rwork	0.224
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hq0
RMSD bond length	0.011
RMSD bond angle	1.194
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]	49.150	49.150	2.040
High resolution limit [Å]	1.970	7.630	1.970
Rmerge	0.104	0.069	0.768
Rmeas	0.111	0.074	0.852
Rpim	0.034	0.025	0.282
Number of reflections	12088	278	1139
<I/σ(I)>	9		2.1
Completeness [%]	100.0	99.9	100
Redundancy	9.5	8.1	8.8
CC(1/2)	0.997	0.995	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	25% PEG 3350, 0.2M sodium chloride, 0.1M bis-tris pH 6.5