6XOM

DCN1 bound to 8

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	33.721, 86.698, 126.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 2.100
R-factor	0.198
Rwork	0.195
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v83
RMSD bond length	0.010
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.057	0.027	0.565
Rmeas	0.061	0.030	0.617
Rpim	0.023	0.012	0.245
Total number of observations	159935
Number of reflections	22472	1259	1084
<I/σ(I)>	11
Completeness [%]	100.0	99.7	100
Redundancy	7.1	6.3	6.3
CC(1/2)		0.998	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	28 - 33% PEG 3350, 200 mM ammonium formate