2NUX
2-keto-3-deoxygluconate aldolase from Sulfolobus acidocaldarius, native structure in p6522 at 2.5 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 109.509, 109.509, 319.559 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.000 - 2.500 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nuw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.340 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.000 | 2.550 | |
| High resolution limit [Å] | 2.500 | 6.000 | 2.500 |
| Rmerge | 0.155 | 0.077 | 0.390 |
| Number of reflections | 36273 | ||
| <I/σ(I)> | 23.77 | 47.4 | 8 |
| Completeness [%] | 90.1 | 98.6 | 53 |
| Redundancy | 33.1 | 19.8 |
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 |
