6U9K

MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	P 32
Unit cell lengths	54.949, 54.949, 104.895
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.340 - 2.000
R-factor	0.209
Rwork	0.207
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f5e
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	23928	23928
<I/σ(I)>	10	2
Completeness [%]	100.0
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2.2 M Sodium Malonate pH 7.0