9JYX

Crystal structure of Nir2 DDHD 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	2022-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 31 2 1
Unit cell lengths	130.243, 130.243, 105.573
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.744 - 2.798
R-factor	0.203
Rwork	0.201
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.189
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	2.850
High resolution limit [Å]	2.790	7.590	2.800
Rmerge	0.089	0.049	0.996
Rmeas	0.093	0.051	1.049
Rpim	0.028	0.016	0.328
Number of reflections	25905	1392	1287
<I/σ(I)>	5.7
Completeness [%]	100.0	99.9	100
Redundancy	10.9	10.3	9.9
CC(1/2)	0.990	0.998	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	12% PEG 3350, 100mM HEPES pH 7.5, 0.15M ammonium sulfate