6I8Y

Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	P 43 21 2
Unit cell lengths	116.170, 116.170, 43.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.145 - 1.520
R-factor	0.1911
Rwork	0.190
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h75
RMSD bond length	0.014
RMSD bond angle	1.391
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.145	19.332	1.690
High resolution limit [Å]	1.520	5.060	1.600
Rmerge		0.068	0.791
Rmeas	0.111	0.071	0.836
Rpim	0.033	0.021	0.266
Number of reflections	46462	1395	5736
<I/σ(I)>	12.7	8.5	1
Completeness [%]	99.9	98.2	100
Redundancy	11.2	10.5	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M Bis-Tris pH=6.5,0.2M CaCl2, 45% MPD