3FZA
Crystal structure of poplar glutaredoxin S12 in complex with glutathione and beta-mercaptoethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8063 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.829, 46.816, 55.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.17099 |
| Rwork | 0.169 |
| R-free | 0.20995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Poplar GrxS12 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.331 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.110 |
| Number of reflections | 10048 | |
| <I/σ(I)> | 23.3 | 16.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7.5 | 293.15 | 0.1M Na HEPES (pH 7.5), 25% PEG 1000, microbatch under oil, temperature 293.15K |
