5GIF

Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-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	2016-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	44.138, 56.580, 84.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.824 - 1.300
R-factor	0.1531
Rwork	0.151
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.259
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	1.340
High resolution limit [Å]	1.290	2.780	1.290
Rmerge	0.049	0.030	0.422
Rmeas	0.052
Rpim	0.019
Total number of observations	397598
Number of reflections	53391
<I/σ(I)>	15
Completeness [%]	99.0	99.4	90.3
Redundancy	7.4	7.2	6.4

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