3D2A
Structure of 1-17A4, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.014, 57.958, 82.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.730 |
| Rwork | 0.192 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 3.720 | 1.730 |
| Rmerge | 0.054 | 0.038 | 0.279 |
| Number of reflections | 18153 | ||
| <I/σ(I)> | 22.4 | ||
| Completeness [%] | 92.0 | 96 | 85.2 |
| Redundancy | 3 | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 10 | 277 | 2mM glycine-NaOH, pH 10.0, SMALL TUBES, temperature 277K |
