3FKF
thiol-disulfide oxidoreductase from Bacteroides fragilis NCTC 9343
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-10 |
| Detector | SBC-3 |
| Wavelength(s) | 0.978828 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 123.670, 125.947, 56.951 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.390 - 2.200 |
| R-factor | 0.21043 |
| Rwork | 0.208 |
| R-free | 0.25816 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.827 |
| 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] | 88.390 | 2.257 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | |
| Number of reflections | 43234 | |
| <I/σ(I)> | 24.364 | 3.029 |
| Completeness [%] | 99.4 | 90.27 |
| Redundancy | 4.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.10 M sodium acetate, pH 4.6 2.5 M ammonium sulphate 25% v/v glycerol included in cryoprotectant, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
