5KK4
Crystal Structure of the Plant Defensin NsD7 bound to Phosphatidic Acid
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 | 2014-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.470, 62.327, 53.644 |
| Unit cell angles | 90.00, 118.69, 90.00 |
Refinement procedure
| Resolution | 25.996 - 1.700 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ab0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.347 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.140 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.781 | |
| Number of reflections | 34010 | |
| <I/σ(I)> | 11.2 | 1.5 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 0.2 M ammonium sulfate, 25% PEG MME 2000, and 0.1 M sodium acetate pH 4.9 |
