7DYT

Human JMJD5 in complex with MN and 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96862
Spacegroup name	P 21 21 21
Unit cell lengths	49.350, 65.000, 78.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.800 - 1.620
R-factor	0.1638
Rwork	0.163
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f4p
RMSD bond length	0.005
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.090	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.161	1.117
Number of reflections	30389	965
<I/σ(I)>	11.2	1.1
Completeness [%]	92.5	59.2
Redundancy	10.3	3.9
CC(1/2)	0.996	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	100mM HEPES sodium, 200mM magnesium chloride hexahydrate, 25% w/v PEG 3350, 1mM manganese chloride