3DYV
Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-18 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 47.154, 47.154, 174.226 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.400 - 1.810 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dkr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.996 |
Data reduction software | Crystal |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.400 |
High resolution limit [Å] | 1.810 |
Rmerge | 0.054 |
Number of reflections | 36866 |
<I/σ(I)> | 12 |
Completeness [%] | 88.1 |
Redundancy | 5.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 6 | 298 | PEG 8000, Na acetate, pH 6.0, hanging drop, temperature 298K |