4MYO

Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus

Replaces:  4E8L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-07
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	91.836, 184.037, 96.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.666 - 2.696
R-factor	0.1928
Rwork	0.190
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mr7
RMSD bond length	0.003
RMSD bond angle	0.691
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.750
High resolution limit [Å]	2.696	2.700
Number of reflections	22987
<I/σ(I)>	10.74	2.013
Completeness [%]	100.0	100
Redundancy	6.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.2 M POTASSIUM/SODIUM TARTRATE, 2 M AMMONIUM SULFATE, 0.1 M TRI-SODIUM CITRATE PH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K