3R0V
The crystal structure of an alpha/beta hydrolase from Sphaerobacter thermophilus DSM 20745.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 65.220, 72.162, 45.066 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.076 - 1.383 |
| R-factor | 0.1645 |
| Rwork | 0.163 |
| R-free | 0.18510 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.096 | 0.723 |
| Number of reflections | 44078 | |
| <I/σ(I)> | 34 | 1.9 |
| Completeness [%] | 99.6 | 95.7 |
| Redundancy | 6.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2M CaCl2, 0.1M HEPES:NaOH, 30% (w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
