5M23

Modulation of MLL1 Methyltransferase Activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	80.553, 86.098, 40.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.049 - 1.970
R-factor	0.1688
Rwork	0.166
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg6
RMSD bond length	0.015
RMSD bond angle	1.488
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.070
Number of reflections	38419
<I/σ(I)>	14.4
Completeness [%]	99.8
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.02 M carboxylic acid 0.1 M bicine/Trizma base pH 8.5