3FBS
The crystal structure of the oxidoreductase from Agrobacterium tumefaciens
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 | 2008-01-31 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9794, 0.9796 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 95.190, 95.190, 149.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.320 - 2.150 |
| R-factor | 0.18996 |
| Rwork | 0.188 |
| R-free | 0.23626 |
| Structure solution method | MAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.905 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.320 | 2.206 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.137 | 0.772 |
| Number of reflections | 36027 | |
| <I/σ(I)> | 21.42 | 2.75 |
| Completeness [%] | 99.7 | 99.71 |
| Redundancy | 17.6 | 16.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M NaHepes, 0.1M NaCl, 1.6M (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
