6DDA

Nurr1 Covalently Modified by a Dopamine Metabolite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1158
Spacegroup name	P 31 2 1
Unit cell lengths	80.586, 80.586, 225.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.290 - 3.200
Rwork	0.250
R-free	0.29450
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.290	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.201
Number of reflections	14697
<I/σ(I)>	13.74
Completeness [%]	99.6	99.6
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100mM HEPES, 202.9mM potassium bromide, 18.45% PEG 3350