3BV8
Crystal structure of the N-terminal domain of tetrahydrodipicolinate acetyltransferase from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-05 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97921, 0.97942 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 76.503, 76.503, 93.862 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.660 - 1.750 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19700 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.378 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.076 | 0.522 |
| Number of reflections | 16945 | |
| <I/σ(I)> | 10.3 | 4.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.5 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 2.4M Sodium malonate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
