8JF5

Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0800
Spacegroup name	I 2 2 2
Unit cell lengths	121.772, 179.115, 235.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 3.200
R-factor	0.19451
Rwork	0.193
R-free	0.23025
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.323
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.110	0.877
Rmeas	0.119	0.945
Number of reflections	42711	6138
<I/σ(I)>	13.3	2.4
Completeness [%]	100.0	100
Redundancy	6.9	7.2
CC(1/2)	0.998	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	100mM ADA pH6.5, 1.22M Na/K Tartrate