9DBP

Crystal structure of the LSD1/CoREST histone demethylase in complex with the cofactor FAD and the inhibitor GSK690

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	105
Detector technology	CCD
Collection date	2019-12-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9762
Spacegroup name	I 2 2 2
Unit cell lengths	121.487, 179.407, 235.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.460 - 2.660
R-factor	0.2397
Rwork	0.239
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.460	2.730
High resolution limit [Å]	2.660	2.660
Rmerge	0.200	0.560
Number of reflections	141832	4052
<I/σ(I)>	7.9
Completeness [%]	99.1	99.99
Redundancy	13.8
CC(1/2)	0.996	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM ADA, 1.2 - 1.6M N/K and 3% w/v D-(+)-Glucose monohydrate