2J23
Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.496, 51.986, 53.023 |
| Unit cell angles | 90.00, 99.49, 90.00 |
Refinement procedure
| Resolution | 37.000 - 1.410 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ep7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.445 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.040 | 0.250 |
| Number of reflections | 38712 | |
| <I/σ(I)> | 18.9 | 3.4 |
| Completeness [%] | 99.6 | 93.2 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 1.8 M AMMONIUM SULFATE, 3% PEG400, 0.1 M IMIDAZOLE PH 7 |
