4LUQ
Crystal structure of virulence effector Tse3 in complex with neutralizer Tsi3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002+ |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.333, 81.288, 111.414 |
Unit cell angles | 90.00, 93.64, 90.00 |
Refinement procedure
Resolution | 40.520 - 1.770 |
Rwork | 0.139 |
R-free | 0.18800 |
Structure solution method | SIRAS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.889 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
Rmerge | 0.057 | 0.038 | 0.253 |
Number of reflections | 109546 | ||
<I/σ(I)> | 25.44 | 101.2 | 6.88 |
Completeness [%] | 99.6 | 96.5 | 99.7 |
Redundancy | 3.7 | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 289 | 100mM HEPES, 2M NH4COOH, 50uM CaCl2, pH 7.2, VAPOR DIFFUSION, temperature 289K |
1 | VAPOR DIFFUSION | 7.2 | 289 | 100mM HEPES, 2M NH4COOH, 50uM CaCl2, pH 7.2, VAPOR DIFFUSION, temperature 289K |