6X3J

Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	92
Detector technology	PIXEL
Collection date	2019-08-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11583
Spacegroup name	P 21 21 21
Unit cell lengths	104.800, 109.220, 173.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.510 - 2.700
Rwork	0.234
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hur
RMSD bond length	0.006
RMSD bond angle	0.930
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.510	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	55239	5440
<I/σ(I)>	9.41
Completeness [%]	100.0	99.96
Redundancy	29.6
CC(1/2)	0.995	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 M LiCl, 0.1 M BICINE pH 9, and 10 %w/v PEG 6K