6MFK

Crystal Structure of Chloramphenicol Acetyltransferase from Elizabethkingia anophelis

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	2018-04-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	H 3 2
Unit cell lengths	102.950, 102.950, 115.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.423 - 1.650
R-factor	0.1464
Rwork	0.145
R-free	0.16350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xat
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((1.14_3228))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.423	38.423	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.047	0.034	0.518
Rmeas	0.051	0.038	0.553
Total number of observations	223684
Number of reflections	28379	352	2063
<I/σ(I)>	21.49	41.4	3.9
Completeness [%]	99.9	98.1	100
Redundancy	7.882	6.963	8.119
CC(1/2)	0.999	0.998	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	ElanA.01572.a.B1.PW38419 @21.17 mg/ml was incubated with 5 mM acetyl-CoA and chloramphenicol, then mixed 1:1 with JCSG+(a11): 50% (v/v) MPD, 0.1 M Tris base/ HCl, pH = 8.5, 0.2 M ammonium phosphate basic. Tray 299552a11, puck: jtk9-1