7UVA

Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.903, 87.054, 176.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.090 - 1.980
R-factor	0.18552
Rwork	0.183
R-free	0.23701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qx7
RMSD bond length	0.017
RMSD bond angle	1.764
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.090	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.190
Rmeas	0.220
Rpim	0.090
Number of reflections	58130	4103
<I/σ(I)>	6.48
Completeness [%]	97.3	98.3
Redundancy	6.3	6.7
CC(1/2)	0.991	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Tris-Cl, pH 8.5, 150 mM lithium sulfate, 20% PEG3350