2I3D
Crystal Structure of Protein of Unknown Function ATU1826, a Putative Alpha/Beta Hydrolase from Agrobacterium tumefaciens
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 | 2005-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.549, 50.579, 54.844 |
| Unit cell angles | 92.25, 115.17, 99.82 |
Refinement procedure
| Resolution | 35.500 - 1.500 |
| R-factor | 0.14 |
| Rwork | 0.138 |
| R-free | 0.17420 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.560 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.086 | 0.364 |
| Number of reflections | 53502 | |
| <I/σ(I)> | 20.8 | 2.17 |
| Completeness [%] | 75.6 | 15.3 |
| Redundancy | 3.6 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | 0.1 M HEPES buffer, 0.4 M Magnesium chloride, 30% PEG 2000 MME, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
