3FZ9
Crystal structure of poplar glutaredoxin S12 in complex with glutathione
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 | 2007-08-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8150 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.032, 47.265, 55.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.940 - 1.700 |
| R-factor | 0.19424 |
| Rwork | 0.192 |
| R-free | 0.23761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fls |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.397 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.045 | 0.240 |
| Number of reflections | 11857 | |
| <I/σ(I)> | 13.4 | 2.3 |
| Completeness [%] | 99.7 | 95 |
| Redundancy | 4.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7.5 | 293.15 | 0.1 M Na HEPES (pH 7.5) and 20 % PEG 8000, microbatch under oil, temperature 293.15K |
