7RC6

Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34

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	CCD
Collection date	2018-10-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 32 2 1
Unit cell lengths	78.029, 78.029, 153.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.780 - 1.710
R-factor	0.1662
Rwork	0.165
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rc2
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.575	1.744
High resolution limit [Å]	1.710	1.715
Rmerge	0.084	1.047
Rpim	0.023	0.327
Number of reflections	58778	2903
<I/σ(I)>	20	2.2
Completeness [%]	100.0	100
Redundancy	14.8	11.1
CC(1/2)	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	282	18% PEG 3350, 0.1 M sodium citrate pH 4.0, 0.2 M sodium citrate