4UC4

Crystal structure of hybrid tudor domain of human lysine demethylase KDM4B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31
Unit cell lengths	77.436, 77.436, 50.758
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.977 - 2.561
R-factor	0.2034
Rwork	0.197
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gf7
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.600
High resolution limit [Å]	2.560	6.920	2.560
Rmerge	0.110	0.060	0.813
Total number of observations	71716
Number of reflections	10956
<I/σ(I)>	6.5
Completeness [%]	100.0	100	100
Redundancy	6.5	6.5	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	288	0.06M Divalents (MgCl2/CaCl2), 0.1M Buffer pH8.5 (TRIS/Bicine) and 30% w/v EDO/P8K