9P3B

Structure of radical S-adenosylmethionine methyltransferase, NocN, from Nocardia with two SAM and [4Fe-4S] cluster bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 2 21 21
Unit cell lengths	60.905, 86.223, 145.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.320 - 1.830
R-factor	0.1721
Rwork	0.171
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.820
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.830	4.990	1.840
Rmerge		0.050	0.878
Rmeas		0.054	0.936
Rpim	0.037	0.019	0.322
Number of reflections	107057	3636	3333
<I/σ(I)>	7.5
Completeness [%]	100.0	99.6	100
Redundancy	8.2	7.6	8.2
CC(1/2)		0.996	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	100 mM Hepes pH 7.5, 100 mM Li2SO4, 100 mM MgCl2, 20% w/v PEG 3350, and 10% w/v 1,6-hexanediol