6XOL

DCN1 bound to DI-1548

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	33.910, 86.420, 126.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.780 - 2.390
R-factor	0.215
Rwork	0.212
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v83
RMSD bond length	0.009
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.390	6.480	2.390
Rmerge	0.067	0.040	0.959
Rmeas	0.073	0.044	1.043
Rpim	0.028	0.018	0.405
Total number of observations	104928
Number of reflections	15414	878	762
<I/σ(I)>	9.7
Completeness [%]	99.9	99.3	99.7
Redundancy	6.8	6	6.4
CC(1/2)		0.997	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	28-33 % PEG3350, 200 mM ammonium formate