3KAO
Crystal structure of tagatose 1,6-diphosphate aldolase from Staphylococcus aureus
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 | 2009-10-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 84.704, 84.704, 202.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.14935 |
| Rwork | 0.148 |
| R-free | 0.17098 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.224 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.484 |
| Number of reflections | 59016 | |
| <I/σ(I)> | 54.7 | 6.43 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.1 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 10 mM zinc sulfate, 100 mM MES pH 6.5, 12.5 % PEG550 MME, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
