6HPW

Crystal structure of ENL (MLLT1) in complex with compound 20

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	2018-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	48.738, 48.738, 131.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.710 - 1.900
R-factor	0.21657
Rwork	0.213
R-free	0.28102
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j9s
RMSD bond length	0.014
RMSD bond angle	1.538
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]	48.740	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.115	0.855
Rpim	0.034	0.257
Number of reflections	13292	846
<I/σ(I)>	10.8
Completeness [%]	100.0	100
Redundancy	12.8	12.8
CC(1/2)	0.999	0.953

Crystallization Conditions

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