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 |