9P2U

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	46.551, 70.506, 54.672
Unit cell angles	90.00, 97.80, 90.00

Refinement procedure

Resolution	37.730 - 1.400
R-factor	0.1343
Rwork	0.133
R-free	0.16250
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.070
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	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.036	0.028	0.143
Rmeas	0.041	0.032	0.185
Rpim	0.020	0.016	0.114
Number of reflections	119219	3458	2503
<I/σ(I)>	24.7
Completeness [%]	96.7	97.5	73.1
Redundancy	3.9	4.1	2.4
CC(1/2)	0.996	0.997	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	200 mM Ca(OAc)2, 20% w/v PEG 3350