3QMM
Structure of 6B, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-29 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.481, 55.206, 137.064 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.890 |
Rwork | 0.194 |
R-free | 0.24460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1I6W(chain A) |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.960 |
High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
Rmerge | 0.043 | 0.037 | 0.099 |
Number of reflections | 23336 | ||
<I/σ(I)> | 24.2 | ||
Completeness [%] | 98.8 | 99.9 | 89.1 |
Redundancy | 3.8 | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M sodium malonate(pH 7.0), 20%(w/v) PEG3350, 25%(w/v) PEG 1500, vapor diffusion, sitting drop, temperature 298K |