4XDP

Crystal structure of human KDM4C catalytic domain bound to tris

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	2013-06-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	C 1 2 1
Unit cell lengths	93.870, 89.750, 98.280
Unit cell angles	90.00, 96.31, 90.00

Refinement procedure

Resolution	31.420 - 2.070
R-factor	0.2084
Rwork	0.207
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.367
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.420	31.420	2.120
High resolution limit [Å]	2.070	9.260	2.070
Rmerge	0.124	0.027	0.669
Rpim	0.068	0.016	0.366
Total number of observations	209621	2160	15403
Number of reflections	48744
<I/σ(I)>	11	35.8	2.3
Completeness [%]	98.6	97.3	97.8
Redundancy	4.3	3.9	4.3
CC(1/2)	0.995	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	0.8 M Lithium chloride, 0.1 M TRIS pH 8.5, 28 % w/v PEG 4000