3D21
Crystal structure of a poplar wild-type thioredoxin h, PtTrxh4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8123 |
| Spacegroup name | P 61 |
| Unit cell lengths | 47.355, 47.355, 195.996 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.000 - 2.150 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SeMet Model solved using SAD method |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.053 | 0.392 |
| Number of reflections | 13453 | |
| <I/σ(I)> | 22.9 | 2.6 |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7.5 | 293 | 0.1 M Na HEPES (pH 7.5), 30 % (w/v) PEG 4000, 0.2 M CaCl2) with 1 mM DTT added to the initial protein solution, microbatch under oil, temperature 293K |
