3M9J
Crystal structure of human thioredoxin C69/73S double mutant, reduced form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.233, 46.207, 52.330 |
| Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
| Resolution | 17.830 - 1.100 |
| R-factor | 0.145 |
| Rwork | 0.144 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.698 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.047 | 0.398 |
| Number of reflections | 69644 | |
| <I/σ(I)> | 40 | 3.2 |
| Completeness [%] | 96.9 | 91.3 |
| Redundancy | 4.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 298 | 30% PEG 4000, 200 mM ammonium acetate, 100 mM sodium citrate, 5 mM DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
