6X3C

Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)

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	105.540, 105.620, 178.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.138 - 3.050
Rwork	0.234
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hur
RMSD bond length	0.009
RMSD bond angle	1.102
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.138	3.159
High resolution limit [Å]	3.050	3.050
Rmeas	0.377
Number of reflections	38654	3766
<I/σ(I)>	6.67
Completeness [%]	99.9	99.92
Redundancy	13.2	12.8
CC(1/2)	0.989	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M (NH4)2SO4, 0.1 M phosphate-citrate pH 4.2, 20 %v/v PEG 300; 10 % glycerol