7DYG

Histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 2-(1H-pyrazol-3-yl)isonicotinic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-13
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97930
Spacegroup name	P 43 21 2
Unit cell lengths	71.720, 71.720, 151.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.978 - 2.000
R-factor	0.1622
Rwork	0.161
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d6q
RMSD bond length	0.012
RMSD bond angle	1.177
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.095	0.238
Number of reflections	27588	1333
<I/σ(I)>	38.2
Completeness [%]	100.0
Redundancy	25.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2M potassium citrate tribasic monohydrate PH 8.3, 20% w/v PEG 3350