3SMV
X-ray Crystal Structure of L-Azetidine-2-Carboxylate Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-07 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.612, 63.588, 54.665 |
| Unit cell angles | 90.00, 105.54, 90.00 |
Refinement procedure
| Resolution | 20.280 - 1.380 |
| R-factor | 0.1235 |
| Rwork | 0.122 |
| R-free | 0.15770 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.102 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.060 | 0.302 |
| Number of reflections | 47231 | |
| <I/σ(I)> | 28.7 | 2.84 |
| Completeness [%] | 97.9 | 87.2 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20% PEG 3350, 0.1M imidazole, 0.1M magnesium acetate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K |
