2Q1C
2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2-oxobutyrate
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 | 2006-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 129.290, 129.290, 223.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.480 - 2.800 |
| R-factor | 0.24084 |
| Rwork | 0.240 |
| R-free | 0.26565 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1q18 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.123 | 0.446 |
| Number of reflections | 22992 | |
| <I/σ(I)> | 8.1 | 3 |
| Completeness [%] | 97.1 | 99.3 |
| Redundancy | 3.4 |
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 |
