6I8B

Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976250
Spacegroup name	P 21 21 21
Unit cell lengths	111.875, 118.583, 43.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.093 - 1.760
R-factor	0.2341
Rwork	0.233
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mzg
RMSD bond length	0.005
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.093	41.090	1.850
High resolution limit [Å]	1.760	5.560	1.760
Rmerge	0.139	0.055	1.608
Rmeas	0.153	0.060	1.786
Rpim	0.064	0.025	0.762
Number of reflections	58414	2015	8373
<I/σ(I)>	6.6
Completeness [%]	99.6	98.6	99.5
Redundancy	5.2	4.7	5.2
CC(1/2)	0.997	0.998	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	55% MPD and 0.1 M SPG buffer pH 5.5