3ABU

Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000000
Spacegroup name	P 61 2 2
Unit cell lengths	183.700, 183.700, 109.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.710 - 3.100
R-factor	0.242
Rwork	0.242
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dw4
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.160
High resolution limit [Å]	3.100	3.090
Rmerge	0.152	0.714
Number of reflections	20212
<I/σ(I)>	19.38	5.13
Completeness [%]	99.9	100
Redundancy	18.08	18.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	3-10% PEG 2000 Monomethyl ether, 0.1M Hepes pH 7.5, 0.2M magnesium chloride, 0.1M cacodylate, 5mM Tranylcypromine-derivative, VAPOR DIFFUSION, HANGING DROP, temperature 278K
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	3-10% PEG 2000 Monomethyl ether, 0.1M Hepes pH 7.5, 0.2M magnesium chloride, 0.1M cacodylate, 5mM Tranylcypromine-derivative, VAPOR DIFFUSION, HANGING DROP, temperature 278K