1T2N
Structure of a thermostable triple mutant of Bacillus subtilis lipase obtained through directed evolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.863, 75.863, 102.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.140 - 1.800 |
| R-factor | 0.228 |
| Rwork | 0.226 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i6w |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 20289 | |
| <I/σ(I)> | 32 | 4 |
| Completeness [%] | 99.4 | 94.5 |
| Redundancy | 2.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | PEG 3350, ethanolamine, n-octyl-beta-D-glucoside, sodium sulfate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
