1I5G
TRYPAREDOXIN II COMPLEXED WITH GLUTATHIONYLSPERMIDINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.211, 50.510, 67.259 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.490 - 1.400 |
| R-factor | 0.176 * |
| Rwork | 0.168 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fg4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.398 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.870 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.065 * | 0.088 |
| Number of reflections | 24680 * | |
| <I/σ(I)> | 4.6 | 8.8 |
| Completeness [%] | 89.0 | 92.1 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 19 * | PEG 8000, Mes Tris glutathionylspermidine, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 29 (%) | pH6.9 |
| 2 | 1 | reservoir | MES/Tris | 0.1 | |
| 3 | 1 | drop | ammonium sulfate | 0.1 (M) | |
| 4 | 1 | drop | N1-glutathionylspermidine | 2.5 (mM) |
