7E0G

Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 61 2 2
Unit cell lengths	184.550, 184.550, 108.571
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.250
R-factor	0.1957
Rwork	0.194
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z5u
RMSD bond length	0.006
RMSD bond angle	1.129
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (refmac_5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	159.820	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.080	0.030
Rmeas	0.079	0.031
Rpim	0.025	0.008	0.525
Number of reflections	51851	2849	2500
<I/σ(I)>	9.2
Completeness [%]	99.7	99.7	99.1
Redundancy	13.4	13.6	11.6
CC(1/2)		0.999	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M imidazole/HCl (pH 7.0), 14% PEG 3350, 10% 2-methyl-2,4-pentanediol