4AAZ
X-ray structure of Nicotiana alata Defensin 1 NaD1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-08 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.697, 32.685, 41.977 |
| Unit cell angles | 90.00, 100.83, 90.00 |
Refinement procedure
| Resolution | 41.230 - 1.400 |
| R-factor | 0.1218 |
| Rwork | 0.121 |
| R-free | 0.13710 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.514 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.230 | 1.470 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 17174 | |
| <I/σ(I)> | 18.1 | 4.6 |
| Completeness [%] | 98.6 | 90.5 |
| Redundancy | 6.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 20% PEG 1500 AND 10% SUCCINATE-PHOSPHATE-GLYCINE BUFFER PH 9 |
