3TOI
Tailoring Enzyme Stability and Exploiting Stability-Trait Linkage by Iterative Truncation and Optimization
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 | 2010-10-30 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.003, 47.525, 258.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.740 - 1.900 |
| R-factor | 0.20124 |
| Rwork | 0.199 |
| R-free | 0.23713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cmz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.149 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.744 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.397 |
| Number of reflections | 41888 | |
| <I/σ(I)> | 14.4 | 4.4 |
| Completeness [%] | 99.7 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2 M imidazole maleate, 44% PEG600, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
