21NH

structure of NMI NID domain dimer form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9798
Spacegroup name	C 1 2 1
Unit cell lengths	164.399, 53.332, 46.540
Unit cell angles	90.00, 96.70, 90.00

Refinement procedure

Resolution	38.350 - 1.600
R-factor	0.2086
Rwork	0.207
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.023	0.076
Rmeas	0.033	0.108
Rpim	0.023	0.076
Number of reflections	51125	4529
<I/σ(I)>	25.1	4.3
Completeness [%]	96.7
Redundancy	9.8
CC(1/2)	0.999	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
3	VAPOR DIFFUSION, HANGING DROP		289	0.1M ammonium sulfate, 0.1M Bis-Tris pH6.5, 25% (w/v) polyethylene glycol 3350