6JN2

Crystal structure of the coiled-coil domains of human DOT1L in complex with AF10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	I 41 2 2
Unit cell lengths	107.813, 107.813, 114.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.600
R-factor	0.3293
Rwork	0.324
R-free	0.38120
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.730
High resolution limit [Å]	3.600	7.750	3.600
Rmerge	0.080	0.053
Rmeas	0.083	0.055
Rpim	0.025	0.015	0.378
Number of reflections	4063	414	392
<I/σ(I)>	7.7
Completeness [%]	98.9	90.4	100
Redundancy	15.1	12.9	15.9
CC(1/2)		0.998	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	289	0.1 M SODIUM ACETATE PH 4.8, 0.3 M KSCN, 8% V/V PENTAERYTHRITOL ETHOXYLATE (3/4 EO/OH),