3DKR
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 | 2006-12-05 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 47.225, 47.225, 174.572 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.840 - 1.600 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r1d |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.234 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.600 |
| Rmerge | 0.048 |
| Number of reflections | 30848 |
| <I/σ(I)> | 25.4 |
| Completeness [%] | 99.8 |
| Redundancy | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6 | 298 | PEG 8000, Na acetate, pH 6.0, hanging drop, temperature 298K |
