3DCI
The Structure of a putative arylesterase from Agrobacterium tumefaciens str. C58
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-21 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97921, 0.97941 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.204, 131.397, 122.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.280 - 2.000 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.18400 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.386 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.452 |
| Number of reflections | 41107 | |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 7.4 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M sodium acetate pH 4.6, 3.2M sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
