5V88

Structure of DCN1 bound to NAcM-COV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00003
Spacegroup name	P 1 21 1
Unit cell lengths	35.392, 98.677, 59.181
Unit cell angles	90.00, 104.83, 90.00

Refinement procedure

Resolution	28.515 - 1.601
R-factor	0.1608
Rwork	0.159
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	residues 65-250 of Chain A from 3TDU and residues 6-158 from 2LZM
RMSD bond length	0.011
RMSD bond angle	1.324
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.035	0.024	0.283
Rmeas	0.047	0.033	0.386
Rpim	0.032	0.022	0.261
Total number of observations	87116
Number of reflections	48294
<I/σ(I)>	18.5
Completeness [%]	93.9	86.5	83.7
Redundancy	1.8	1.9	1.7
CC(1/2)		0.997	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	6% PEG3350, 0.2M NH4Br