2Q1D
2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2,5-dioxopentanoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 128.280, 128.280, 223.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 2.700 |
| R-factor | 0.22809 |
| Rwork | 0.226 |
| R-free | 0.26077 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2q18 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.322 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.071 | 0.281 |
| Number of reflections | 25301 | |
| <I/σ(I)> | 11.4 | 4.1 |
| Completeness [%] | 97.3 | 93.4 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | Na/K phosphate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
