6MRY
NoD173 plant defensin
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 | 2014-11-05 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 95.107, 69.318, 107.662 |
| Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
| Resolution | 34.370 - 2.300 |
| R-factor | 0.1916 |
| Rwork | 0.189 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ab0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.161 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.200 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.083 | 0.561 |
| Rpim | 0.078 | 0.521 |
| Number of reflections | 29667 | 2920 |
| <I/σ(I)> | 11.8 | 2.3 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.996 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293.15 | Tris-HCl, trisodium citrate, PEG 400 |
