6W4K

Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	80
Detector technology	CCD
Collection date	2017-01-15
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	121.655, 178.510, 236.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.930
R-factor	0.1936
Rwork	0.191
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zmu
RMSD bond length	0.010
RMSD bond angle	1.941
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.030
High resolution limit [Å]	2.930	6.310	2.930
Rmerge	0.077	0.033	0.902
Rmeas	0.083	0.036	0.980
Rpim	0.032	0.014	0.381
Total number of observations	367961
Number of reflections	55358	5776	5471
<I/σ(I)>	6.8
Completeness [%]	100.0	99.8	99.9
Redundancy	6.6	6.5	6.5
CC(1/2)		0.999	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	1.3M Na Tartrate