6IN3

Crystal structure of DOT1L in complex with 18-Crown-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	145.092, 145.092, 56.478
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.002 - 2.300
R-factor	0.1882
Rwork	0.187
R-free	0.21340
RMSD bond length	0.005
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.570	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.031	0.354
Number of reflections	30363
<I/σ(I)>	17.6
Completeness [%]	99.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.8 M ammonium sulfate, 22 mM acetic acid, 78 mM sodium acetate