7W6J

The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me2 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	75.487, 44.297, 119.384
Unit cell angles	90.00, 107.18, 90.00

Refinement procedure

Resolution	38.020 - 2.680
R-factor	0.2063
Rwork	0.204
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f6l
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.680	7.320	2.700
Rmerge	0.229	0.101	0.812
Rmeas	0.263	0.117	0.959
Rpim	0.126	0.059	0.501
Number of reflections	10704	567	548
<I/σ(I)>	5.3
Completeness [%]	99.5	99.1	98.4
Redundancy	4.2	3.8	3.4
CC(1/2)		0.980	0.626

Crystallization Conditions

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