7W6I

The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me1 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	75.777, 44.422, 120.097
Unit cell angles	90.00, 107.51, 90.00

Refinement procedure

Resolution	38.180 - 2.560
R-factor	0.2024
Rwork	0.198
R-free	0.24450
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	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.154	0.074	0.849
Rmeas	0.175	0.083	0.990
Rpim	0.081	0.038	0.494
Total number of observations	55070
Number of reflections	12247	1275	1153
<I/σ(I)>	3.2
Completeness [%]	99.4	99.5	98.1
Redundancy	4.5	4.5	3.7
CC(1/2)		0.992	0.586

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 3,350