7E9M

Crystal Structure of Spindlin1 bound to SPINDOC Docpep3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	P 1 2 1
Unit cell lengths	77.612, 45.541, 85.984
Unit cell angles	90.00, 93.09, 90.00

Refinement procedure

Resolution	38.750 - 2.500
R-factor	0.2061
Rwork	0.204
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ns2
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.111	0.037	0.676
Rmeas	0.137	0.045	0.844
Rpim	0.079	0.026	0.498
Total number of observations	61133
Number of reflections	20960	1102	1001
<I/σ(I)>	5.9
Completeness [%]	99.4	97.3	97.7
Redundancy	2.9	2.6	2.9
CC(1/2)		0.997	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	0.2M magnesium acetate, 0.1M Sodium cacodylate pH 6.5, 20% PEG 8000