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 |