9JZP

Crystal structure of Nir2 C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	61.999, 109.024, 116.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.407 - 2.322
R-factor	0.1938
Rwork	0.191
R-free	0.24640
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.116
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.322	6.370	2.350
Rmerge	0.097	0.060	0.559
Rmeas		0.068	0.624
Rpim		0.031	0.274
Number of reflections	34340	1872	1727
<I/σ(I)>	5.7
Completeness [%]	99.1	98.8	99.9
Redundancy	4.8	4.4	4.9
CC(1/2)		0.995	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	9% polyethylene glycol (PEG) 4000, 100mM HEPES pH 7.5, 1% ethanol, 4mM calcium chloride