3T5P
Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.016, 115.100, 208.018 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 29.560 - 2.500 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24080 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.242 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.087 | 0.053 | 0.718 |
| Number of reflections | 124871 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 98.9 | 95.4 | 98.4 |
| Redundancy | 4.3 | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 15%PEG 8K, 0.2M Mg Acetate, 0.1M Bis-Tris, pH 7, vapor diffusion |
