6HPY

Crystal structure of ENL (MLLT1) in complex with compound 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97950
Spacegroup name	P 43 21 2
Unit cell lengths	49.039, 49.039, 132.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.000
R-factor	0.219
Rwork	0.217
R-free	0.26031
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9s
RMSD bond length	0.013
RMSD bond angle	1.434
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.390	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.216
Rpim	0.030	0.080
Number of reflections	11691	850
<I/σ(I)>	15.7	7.7
Completeness [%]	100.0	100
Redundancy	8.6	8.9
CC(1/2)	0.996	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	25% PEG 3350, 0.2M ammonium sulfate, 0.1M bis-tris, pH 5.5