5GI5

Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	47.839, 47.781, 90.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.547 - 1.450
R-factor	0.1564
Rwork	0.155
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.171
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.470
High resolution limit [Å]	1.420	3.060	1.420
Rmerge	0.050	0.031	0.644
Number of reflections	39756
<I/σ(I)>	10.6
Completeness [%]	99.0	98.1	93.5
Redundancy	10.3	10.1	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1.0M NaH2PO4/1.6M K2HPO4, 0.1M Imidazole, 0.2M NaCl