7DYQ

Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

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	71.635, 71.635, 151.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.023 - 1.998
R-factor	0.1622
Rwork	0.161
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d6q
RMSD bond length	0.014
RMSD bond angle	1.376
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.023	2.030
High resolution limit [Å]	1.998	2.000
Rmerge	0.090	0.305
Number of reflections	27628	1343
<I/σ(I)>	18
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