7DYX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	48.920, 64.750, 78.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.540 - 2.270
R-factor	0.2436
Rwork	0.242
R-free	0.28010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f4p
RMSD bond length	0.004
RMSD bond angle	0.583
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	2.410
High resolution limit [Å]	2.270	2.270
Rmerge	0.435	2.966
Number of reflections	21676	215
<I/σ(I)>	2.69	0.35
Completeness [%]	97.1	98.2
Redundancy	2.32
CC(1/2)	0.943	0.098

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