4AB0
X-ray crystal structure of Nicotiana alata defensin 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 32 2 1 |
| Unit cell lengths | 33.091, 33.091, 128.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.923 - 1.636 |
| R-factor | 0.2075 |
| Rwork | 0.206 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.294 |
| 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] | 42.940 | 1.720 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 10797 | |
| <I/σ(I)> | 16.4 | 3.1 |
| Completeness [%] | 99.1 | 93.7 |
| Redundancy | 9.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 21% (W/V) PEG 1500, 10% (V/V) SUCCINATE-PHOSPHATE-GLYCINE BUFFER, PH 9.15 |
