3PFU
N-terminal domain of Thiol:disulfide interchange protein DsbD in its reduced form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-02-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.740, 55.552, 105.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.130 - 1.800 |
| R-factor | 0.18632 |
| Rwork | 0.184 |
| R-free | 0.23343 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l6p |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.899 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.072 | 0.037 | 0.366 |
| Number of reflections | 14176 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 94.4 | 92.4 | 72 |
| Redundancy | 4.1 | 4.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 28% PEG 4000, 0.1M ammonium sulphate, 0.1M sodium acetate pH 5.0, 10mM dithiothreitol , VAPOR DIFFUSION, HANGING DROP, temperature 289K |
