6TE6

Crystal structure of Dot1L in complex with an inhibitor (compound 3).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.99999
Spacegroup name	P 63
Unit cell lengths	158.540, 158.540, 74.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.770 - 1.980
R-factor	0.179
Rwork	0.178
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5drt
RMSD bond length	0.010
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.770	45.770	2.030
High resolution limit [Å]	1.980	8.850	1.980
Rmerge	0.063	0.019	1.047
Rmeas	0.066	0.020	1.104
Total number of observations	755867
Number of reflections	74086	878	5431
<I/σ(I)>	22.94	81.75	2.37
Completeness [%]	99.9	99.1	99.5
Redundancy	10.203	10.361	10.008

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.28 M Na/K-tartrate 0.1 M Hepes pH 6.6