6Y1X

X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.7389
Spacegroup name	P 1
Unit cell lengths	40.180, 48.680, 80.380
Unit cell angles	78.81, 87.73, 89.94

Refinement procedure

Resolution	47.754 - 1.950
R-factor	0.1786
Rwork	0.177
R-free	0.21210
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.760	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	38738	952
<I/σ(I)>	7
Completeness [%]	81.9
Redundancy	3.3
CC(1/2)	0.993	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	PEG 3350, Bis-Tris-HCl, ammonium sulfate.