4XDO

Crystal structure of human KDM4C catalytic domain with OGA

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	93.930, 89.770, 98.460
Unit cell angles	90.00, 96.49, 90.00

Refinement procedure

Resolution	40.580 - 1.970
R-factor	0.2032
Rwork	0.200
R-free	0.25400
RMSD bond length	0.019
RMSD bond angle	1.900
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	REFMAC
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.800	40.800	2.020
High resolution limit [Å]	1.970	8.810	1.970
Rmerge	0.098	0.037	0.604
Rpim	0.054	0.022	0.366
Total number of observations	240106	2528	15383
Number of reflections	57310
<I/σ(I)>	12	34.7	2.2
Completeness [%]	99.9	97.6	99.8
Redundancy	4.2	3.9	3.7
CC(1/2)	0.996	0.998	0.696

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