6INE

Crystal Structure of human ASH1L-MRG15 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 43 21 2
Unit cell lengths	73.120, 73.120, 202.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.1975
Rwork	0.193
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ynm 2aql
Data reduction software	HKL-2000 (HKL-2000)
Data scaling software	SCALEPACK (HKL-2000)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.085	0.031	0.585
Rmeas	0.093	0.035	0.636
Rpim	0.036	0.014	0.247
Number of reflections	17625	1937	1709
<I/σ(I)>	6.3
Completeness [%]	99.6	97.8	99.8
Redundancy	6.3	5.8	6.4
CC(1/2)		0.991	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1 M Tris-HCl pH 8.5, 20 % PEG 6000, 0.2 M Trimethylamine-N-oxide