5WBV

Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-06
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	46.324, 50.559, 74.818
Unit cell angles	101.26, 107.51, 89.67

Refinement procedure

Resolution	37.000 - 2.300
R-factor	0.236
Rwork	0.234
R-free	0.26900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3s8p
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	REFMAC
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.010	37.010	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.054	0.035	0.435
Rmeas	0.073	0.048	0.589
Rpim	0.050	0.033	0.395
Total number of observations	59075	1021	5592
Number of reflections	26973
<I/σ(I)>	10.7	24.8	2.2
Completeness [%]	95.8	97.9	93
Redundancy	2.2	2.1	2.2
CC(1/2)	0.994	0.990	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	8-12% EtOH, 100mM Tris pH 8.0