3M9K
Crystal structure of human thioredoxin C69/73S double-mutant, oxidized 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 | 2009-04-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 6 |
| Unit cell lengths | 125.620, 125.620, 33.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.340 - 1.500 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.731 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.430 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.053 | 0.631 |
| Number of reflections | 48316 | |
| <I/σ(I)> | 15.2 | 2.8 |
| Completeness [%] | 98.6 | 97.8 |
| Redundancy | 9.89 | 9.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 298 | 1.8 M ammonium sulfate, 100 mM MES, 10 mM CoCl2, 2 mM DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
