3S9F
The structure of Tryparedoxin I from Leishmania major
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 33.564, 134.663, 70.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.000 - 1.800 |
| R-factor | 0.20327 |
| Rwork | 0.201 |
| R-free | 0.24195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ewx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0043) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.270 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 15146 | |
| <I/σ(I)> | 21.03 | 3.1 |
| Completeness [%] | 98.9 | 99.9 |
| Redundancy | 6.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20-24% PEG 3350, 0.1M tris HCl, 50mM magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
