2NUY
2-keto-3-deoxygluconate aldolase from Sulfolobus acidocaldarius in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.090, 109.090, 171.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.250 - 2.500 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | native structure of KDGA |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.327 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.348 | |
| Number of reflections | 41289 | |
| <I/σ(I)> | 17.6 | 5.3 |
| Completeness [%] | 99.6 | 97.1 |
| Redundancy | 6.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% PEG400, 0.1M HEPES, 0.2M Magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
