6XOP

DCN1 bound to inhibitor 10

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	33.868, 86.702, 126.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 2.070
R-factor	0.2
Rwork	0.198
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v83
RMSD bond length	0.010
RMSD bond angle	0.960
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	2.110
High resolution limit [Å]	2.070	5.620	2.070
Rmerge	0.048	0.026	0.356
Rmeas	0.052	0.028	0.390
Rpim	0.020	0.011	0.159
Total number of observations	166777
Number of reflections	23551	1318	1154
<I/σ(I)>	13.9
Completeness [%]	100.0	99.5	100
Redundancy	7.1	6.4	5.9
CC(1/2)		0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	28-33% PEG 3350, 0.2 M ammonium formate