3WT2
Crystal structure of the b'-a' domain of thermophilic fungal protein disulfide isomerase (oxidized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 96.310, 96.310, 69.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| R-factor | 0.226 |
| Rwork | 0.221 |
| R-free | 0.31300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2kp1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.508 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.088 | 0.368 |
| Number of reflections | 10809 | |
| <I/σ(I)> | 32 | 6.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG4000, 100mM Tris-HCl pH 8.5, 200mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
