6T1L

Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 3

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	49.078, 49.078, 131.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 2.000
R-factor	0.2203
Rwork	0.218
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hq0
RMSD bond length	0.011
RMSD bond angle	1.215
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]	49.080	49.080	2.070
High resolution limit [Å]	2.000	7.750	2.000
Rmerge	0.086	0.049	0.889
Rmeas	0.094	0.053	0.976
Rpim	0.029	0.018	0.299
Number of reflections	11625	265	1105
<I/σ(I)>	12.3		2.2
Completeness [%]	100.0	99.9	100
Redundancy	9.9	8.1	10.3
CC(1/2)	0.998	0.998	0.916

Crystallization Conditions

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