9V14
crystal structure of the enzyme-product complex of L-azetidine-2-carboxylate hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-06 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.347, 71.353, 72.406 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.930 |
| Rwork | 0.116 |
| R-free | 0.14030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.950 |
| High resolution limit [Å] | 0.930 | 0.930 |
| Rmeas | 0.050 | 0.821 |
| Rpim | 0.019 | 0.311 |
| Number of reflections | 165045 | 8159 |
| <I/σ(I)> | 55.2 | 3.97 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 1.000 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 22.5% PEG3350, 0.1M imidazole-HCl buffer, 85mM magnesium formate, 50mM sodium azetidine-2-carboxylate |
