3FW2
C-terminal domain of putative thiol-disulfide oxidoreductase from Bacteroides thetaiotaomicron.
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 | 2008-11-23 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.441, 96.704, 116.489 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.500 - 1.740 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.633 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.076 | 0.741 |
| Number of reflections | 74076 | |
| <I/σ(I)> | 27.517 | 2.04 |
| Completeness [%] | 99.9 | 98.5 |
| Redundancy | 7.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | 0.2 M ammonium acetate, 0.1 M Tris buffer, 25% PEG-3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
