6PU9

Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 31
Unit cell lengths	71.457, 71.457, 108.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.820 - 1.700
R-factor	0.1965
Rwork	0.194
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eev
RMSD bond length	0.006
RMSD bond angle	0.764
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.099	0.245
Rpim	0.054
Number of reflections	65032	2229
<I/σ(I)>	19.4
Completeness [%]	95.6	65.8
Redundancy	3.9	3
CC(1/2)		0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	0.1 M sodium acetate pH 4.6, 8 % w/v PEG 4000