9NNR

GNAT family acetyltransferase EryM in complex with Acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 3
Unit cell lengths	153.209, 153.209, 153.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.450 - 2.900
R-factor	0.1877
Rwork	0.187
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.186
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.450	3.030
High resolution limit [Å]	2.900	2.900
Rmerge	0.216	1.405
Number of reflections	26928	2673
<I/σ(I)>	10.1	2
Completeness [%]	100.0
Redundancy	20.4
CC(1/2)	0.997	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	277.14	1.8 M (NH4)2SO4, 3% (w/v) 2- methyl-2,4-pentanediol, 0.2 M NaCl, 0.1 M sodium cacodylate pH 5.8