6HPX

Crystal structure of ENL (MLLT1) in complex with compound 19

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	2018-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	48.350, 48.350, 137.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 2.300
R-factor	0.21372
Rwork	0.211
R-free	0.26086
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9s
RMSD bond length	0.013
RMSD bond angle	1.261
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]	45.800	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.057	0.169
Rpim	0.029	0.083
Number of reflections	7846	719
<I/σ(I)>	15.3
Completeness [%]	100.0	100
Redundancy	5.6	5.8
CC(1/2)	0.996	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	25% medium molecular weight PEG smears, 0.1M citrate, pH 5.5