3DYI
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 | 2006-12-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 47.442, 47.442, 174.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.540 - 1.720 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dkr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.030 |
| Data reduction software | CrystalClear |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.540 |
| High resolution limit [Å] | 1.600 |
| Rmerge | 0.048 |
| Number of reflections | 29366 |
| <I/σ(I)> | 14.5 |
| Completeness [%] | 94.4 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6 | 298 | PEG 8000, Na acetate, pH 6.0, hanging drop, temperature 298K |
