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 |