4UJ0
Crystal structure of the tomato defensin TPP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-05 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 64.967, 64.967, 82.398 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.240 - 1.700 |
| R-factor | 0.1876 |
| Rwork | 0.187 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cqk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.460 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 1.070 |
| Number of reflections | 11889 | |
| <I/σ(I)> | 51.4 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 34.7 | 38.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.1 | 0.16 M AMMONIUM ACETATE, 24% (W/V) PEG 4000, 0.1 M SODIUM CITRATE AT PH 5.1 |
