5V83

Structure of DCN1 bound to NAcM-HIT

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	34.966, 97.280, 58.148
Unit cell angles	90.00, 104.39, 90.00

Refinement procedure

Resolution	48.743 - 2.002
R-factor	0.1743
Rwork	0.171
R-free	0.22870
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	1.268
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.075	0.037	0.615
Rmeas	0.088	0.043	0.719
Rpim	0.045	0.022	0.370
Total number of observations	95803
Number of reflections	25413
<I/σ(I)>	9.7
Completeness [%]	100.0	100	100
Redundancy	3.8	3.7	3.7
CC(1/2)		0.979	0.456

Crystallization Conditions

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