6PUA

The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-22
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 31 2 1
Unit cell lengths	100.058, 100.058, 128.036
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.420 - 2.000
R-factor	0.164
Rwork	0.163
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eev
RMSD bond length	0.007
RMSD bond angle	0.769
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]	39.420	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	0.969
Rpim	0.025	0.415
Number of reflections	50618	50618
<I/σ(I)>	37.2	2.18
Completeness [%]	99.0	100
Redundancy	7.6	6.3
CC(1/2)	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M ammonium phosphate monobasic, 0.1 M Tris pH 8.5, 50 % v/v (+/-) 2-methyl-2,4-pentanedio