6AO7

Crystal Structure of a GNAT family acetyltransferase from Elizabethkingia anophelis with acetyl-CoA 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	CCD
Collection date	2017-08-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	67.160, 67.160, 134.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1999
Rwork	0.195
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yvk
RMSD bond length	0.007
RMSD bond angle	0.901
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	32.576	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.038	0.031	0.515
Rmeas	0.040	0.033	0.534
Number of reflections	15998	227	1150
<I/σ(I)>	35.45	70.67	4.88
Completeness [%]	99.6	91.5	100
Redundancy	13.841	9.648	14.278
CC(1/2)	0.999	0.997	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	ElanA.19303.a.B1.PW38266 in JCSG+ G11 (100 mM Tris/Hcl pH 5.5, 2 M (NH4)2SO4) at 16 mg/ml with 5 mM aetyl-CoA: cryo = 3.2 M (NH4)2SO4 + 5 mM acteyl-CoA