8YWO
Crystal structure of L-azetidine-2-carboxylate hydrolase soaked in (S)-azetidine-2-carboxylic acid
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 | CCD |
| Collection date | 2010-02-20 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.105, 64.419, 54.307 |
| Unit cell angles | 90.00, 106.99, 90.00 |
Refinement procedure
| Resolution | 25.520 - 1.580 |
| R-factor | 0.134 |
| Rwork | 0.132 |
| R-free | 0.18320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3smv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.781 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.430 | 1.670 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmeas | 0.050 | 0.394 |
| Number of reflections | 32195 | 4744 |
| <I/σ(I)> | 20.6 | 2.98 |
| Completeness [%] | 97.9 | 90 |
| Redundancy | 3.3 | 2.6 |
| CC(1/2) | 0.999 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | Precipitant: 20% PEG 3350, 0.15 M Magnesium acetate, 0.1 M imidazole/HCl buffer; Soaking: the precipitant above with 50 mM L-azetidine-2-carboxylate |
