3PP9

1.6 Angstrom resolution crystal structure of putative streptothricin acetyltransferase from Bacillus anthracis str. Ames in complex with acetyl coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	47.097, 68.009, 174.168
Unit cell angles	90.00, 97.61, 90.00

Refinement procedure

Resolution	29.280 - 1.600
R-factor	0.1903
Rwork	0.189
R-free	0.22203
Structure solution method	SAD
Starting model (for MR)	SAD model of the data set collected on 21-ID-F
RMSD bond length	0.010
RMSD bond angle	1.591
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.065	0.489
Number of reflections	70883
<I/σ(I)>	20.6	2.96
Completeness [%]	98.5	82
Redundancy	5.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein: 2.41 mg/mL. Crystallization conditions: PEG8K 20% KdihidrogenPO4 0.05M. Cryoprotectant - Paratone-N , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein: 2.41 mg/mL. Crystallization conditions: PEG8K 20% KdihidrogenPO4 0.05M. Cryoprotectant - Paratone-N , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K