1M3K
biosynthetic thiolase, inactive C89A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.370, 79.199, 148.863 |
| Unit cell angles | 90.00, 92.32, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.20126 |
| Rwork | 0.199 |
| R-free | 0.24300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlu |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.700 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.079 * | 0.329 * |
| Number of reflections | 193811 | |
| <I/σ(I)> | 10.5 | 2.5 |
| Completeness [%] | 90.0 | 56.7 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | 295 | lithium sulphate, ammonium sulphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP at 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.0 |
| 2 | 1 | reservoir | 1.0 (M) | ||
| 3 | 1 | reservoir | ammonium sulfate | 0.9 (M) | |
| 4 | 1 | reservoir | EDTA | 1 (mM) | |
| 5 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 6 | 1 | reservoir | 1 (mM) | ||
| 7 | 1 | drop | protein | 2 (mg/ml) |
