3DLT
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 | 2006-11-21 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 46.848, 46.848, 173.954 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.570 - 1.900 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r1d |
RMSD bond length | 0.013 |
RMSD bond angle | 1.361 |
Data reduction software | CrystalClear |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.570 |
High resolution limit [Å] | 1.600 |
Rmerge | 0.091 |
Number of reflections | 29364 |
<I/σ(I)> | 6.5 |
Completeness [%] | 96.6 |
Redundancy | 5.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 6 | 298 | PEG 8000, Na acetate, pH 6.0, hanging drop, temperature 298K |