6U6T

Neuronal growth regulator 1 (NEGR1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	C 2 2 21
Unit cell lengths	73.569, 97.218, 252.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.810 - 3.010
R-factor	0.2357
Rwork	0.234
R-free	0.28560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uv6
Data reduction software	HKL-2000 (718)
Data scaling software	HKL-2000 (718)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.810	100.000	3.060
High resolution limit [Å]	3.010	8.170	3.010
Rmerge	0.071	0.054	0.484
Rmeas	0.077	0.059	0.550
Rpim	0.029	0.022	0.251
Number of reflections	16011	998	464
<I/σ(I)>	12.4
Completeness [%]	86.6	97.5	50.2
Redundancy	6.6	6.9	4.1
CC(1/2)		0.990	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293.15	Protein: 2.5 mg/ml NEGR1 in 10 mM HEPES, pH 8.0, 150 mM NaCl. Reservoir Solution: 20% (w/v) PEG 3350, 0.1 M Tris pH 9.0, 0.2 M MgCl2, 0.6 M NaI. Crystallization Drop: 1 micro-Liter NEGR1 + 1 micro-Liter Reservoir Solution Single crystals were obtained via microseeding, and their size improved to ~600 x 200 micro-meters by macroseeding. Crystals harvested from the crystallization drops were cryo-protected in reservoir solution containing 20% (v/v) MPD and then flash cooled by plunging into liquid nitrogen