5V86

Structure of DCN1 bound to NAcM-OPT

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	2015-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00017
Spacegroup name	P 1 21 1
Unit cell lengths	35.045, 96.849, 59.302
Unit cell angles	90.00, 105.83, 90.00

Refinement procedure

Resolution	25.182 - 1.374
R-factor	0.1574
Rwork	0.155
R-free	0.19510
RMSD bond length	0.013
RMSD bond angle	1.400
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	1.420
High resolution limit [Å]	1.370	2.950	1.370
Rmerge	0.069	0.057	0.447
Rmeas	0.082	0.068	0.569
Rpim	0.044	0.036	0.348
Total number of observations	246338
Number of reflections	77103
<I/σ(I)>	18.6
Completeness [%]	96.9	93.8	84.7
Redundancy	3.2	3.3	2.4
CC(1/2)		0.992	0.720

Crystallization Conditions

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