5LHG

Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

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	2016-02-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	120.360, 180.580, 234.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.028 - 3.340
R-factor	0.1588
Rwork	0.157
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v1d
RMSD bond length	0.002
RMSD bond angle	0.471
Data reduction software	XDS
Data scaling software	xia2
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	71.760
High resolution limit [Å]	3.340
Rmerge	0.138
Number of reflections	37430
<I/σ(I)>	14.2
Completeness [%]	100.0
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1.1-1.2 M Na/K tartrate 0.1 M ADA pH 6.0