3MYP
Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 31 |
| Unit cell lengths | 104.899, 104.899, 115.863 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.830 - 2.990 |
| R-factor | 0.20471 |
| Rwork | 0.203 |
| R-free | 0.24124 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.050 |
| High resolution limit [Å] | 2.989 | 2.989 |
| Rmerge | 0.153 | 0.589 |
| Number of reflections | 28654 | |
| <I/σ(I)> | 28.5 | 4.5 |
| Redundancy | 17.3 | 15.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | 0.2M calcium chloride, 0.1M HEPES, 28% (v/v) PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |
