3SHP
Crystal structure of putative acetyltransferase from Sphaerobacter thermophilus DSM 20745
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 | 2010-12-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 89.196, 89.196, 115.726 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.210 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23310 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.409 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.116 | 0.517 |
| Number of reflections | 24074 | |
| <I/σ(I)> | 40.9 | 6.35 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11.3 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 1.1M di-ammonium tartrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
