3JUW
Putative GnaT-family acetyltransferase from Bordetella pertussis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.211, 65.886, 64.375 |
| Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
| Resolution | 30.600 - 2.110 |
| R-factor | 0.19 |
| Rwork | 0.186 |
| R-free | 0.24500 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.681 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.600 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.164 | 0.831 |
| Number of reflections | 28544 | |
| <I/σ(I)> | 7.6 | 2.36 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.2 M ammonium sulfate, 0.1 M MES buffer, 30% PEG 5000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
