3VAY
Crystal structure of 2-Haloacid Dehalogenase from Pseudomonas syringae pv. Tomato DC3000
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.7 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.325, 92.274, 70.191 |
| Unit cell angles | 90.00, 108.13, 90.00 |
Refinement procedure
| Resolution | 25.912 - 1.979 |
| R-factor | 0.1945 |
| Rwork | 0.193 |
| R-free | 0.22400 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.979 | 1.980 |
| Rmerge | 0.090 | 0.454 |
| Number of reflections | 35295 | |
| <I/σ(I)> | 14.3 | 6.6 |
| Completeness [%] | 94.3 | 90.6 |
| Redundancy | 14.6 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 20~26% PEG4K, 0.2M MgCl2.6H2O, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
