4PUF
Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-11-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.979138 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.290, 134.830, 154.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.854 - 3.296 |
R-factor | 0.2735 |
Rwork | 0.272 |
R-free | 0.30840 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.785 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXS |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 3.490 |
High resolution limit [Å] | 3.296 | 3.290 |
Number of reflections | 34042 | |
<I/σ(I)> | 16.84 | 2.83 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 4.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 291 | 15% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K |
1 | VAPOR DIFFUSION | 7.8 | 291 | 15% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K |