9JTZ

Crystal structure of Nir2 C-terminal domain in complex with phosphatidic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	69.941, 108.764, 120.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.375 - 2.150
R-factor	0.2048
Rwork	0.203
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.425
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]	2.150	6.370	2.350
Rmerge	0.097	0.060	0.559
Rmeas		0.068	0.624
Rpim		0.031	0.274
Number of reflections	50504	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	7.5	293.15	9% Polyethylene glycol (PEG) 4000, 100mM HEPES pH 7.5, 1% Ethanol, 4mM calcium chloride