7W3L

Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.919
Spacegroup name	P 61 2 2
Unit cell lengths	186.433, 186.433, 107.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.120 - 2.510
R-factor	0.181
Rwork	0.178
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kgp
RMSD bond length	0.008
RMSD bond angle	0.963
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	2.610
High resolution limit [Å]	2.510	2.510
Number of reflections	38005
<I/σ(I)>	20.4	1.8
Completeness [%]	99.9	99.8
Redundancy	20	21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES (pH 6.6), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350