5F6L

The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	74.966, 44.410, 117.792
Unit cell angles	90.00, 106.16, 90.00

Refinement procedure

Resolution	37.537 - 1.900
R-factor	0.1711
Rwork	0.166
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3toj 2w5y
RMSD bond length	0.008
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.158	0.073	0.548
Rmeas	0.186	0.086	0.658
Rpim	0.097	0.044	0.361
Total number of observations	106735
Number of reflections	29683
<I/σ(I)>	6.1
Completeness [%]	99.7	99.9	99.8
Redundancy	3.6	3.7	3.3
CC(1/2)		0.989	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	200mM NaCl, 20% PEG 3350