9P3C

Structure of radical S-adenosylmethionine methyltransferase, NocN, from Nocardia with SAH and side-ring closed product analog bound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97856
Spacegroup name	P 2 21 21
Unit cell lengths	59.926, 88.035, 146.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 1.780
R-factor	0.1621
Rwork	0.161
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.012
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.067	0.028	0.690
Rmeas	0.072	0.031	0.736
Rpim	0.025	0.011	0.256
Number of reflections	117614	4069	3741
<I/σ(I)>	9.8
Completeness [%]	100.0	99.4	100
Redundancy	8.2	7.6	8.1
CC(1/2)	0.999	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	100 mM Tris pH 8.0, 100 mM CaCl2, 20% w/v PEG 6000