7W67

The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me0 peptide

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	2019-04-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	76.150, 44.571, 121.333
Unit cell angles	90.00, 108.92, 90.00

Refinement procedure

Resolution	31.889 - 2.194
R-factor	0.1772
Rwork	0.175
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f6l
RMSD bond length	0.007
RMSD bond angle	0.872
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.194	4.740	2.200
Rmerge	0.111	0.073	0.478
Rmeas	0.121	0.080	0.538
Rpim	0.048	0.031	0.239
Number of reflections	19701	2076	1798
<I/σ(I)>	5
Completeness [%]	99.3	100	93.3
Redundancy	6	6.4	4.1
CC(1/2)		0.994	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M Sodium chloride, 0.1 M HEPES, pH 7.5, 25% w/v polyethylene glycol 3350