7W6L

The crystal structure of MLL3-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	P 21 21 2
Unit cell lengths	80.369, 236.142, 44.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.450 - 2.260
R-factor	0.1889
Rwork	0.187
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f6k
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	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.074	0.030	0.772
Rmeas	0.082	0.034	0.859
Rpim	0.036	0.015	0.373
Total number of observations	211044
Number of reflections	40495	2217	1997
<I/σ(I)>	10.2
Completeness [%]	99.9	98.7	100
Redundancy	5.2	4.7	5.3
CC(1/2)		0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	100 mM sodium cacodylate, pH 6.5, 10% polyethylene glycol 3350, 0.1 M MgCl2