5VAR

Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	33.270, 39.840, 44.300
Unit cell angles	90.00, 101.61, 90.00

Refinement procedure

Resolution	32.590 - 1.830
R-factor	0.196
Rwork	0.194
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gfa
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.840	39.840	1.930
High resolution limit [Å]	1.830	5.780	1.830
Rmerge	0.086	0.052	0.654
Rmeas	0.099	0.061	0.763
Rpim	0.049	0.030	0.386
Total number of observations	38231
Number of reflections	9890
<I/σ(I)>	10.7
Completeness [%]	97.2	98.1	95.2
Redundancy	3.9	3.6	3.7
CC(1/2)	0.997	0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	18%(w/v) PEG 8000, 0.2M calcium acetate, 0.1M sodium cacodylate pH 6.5