7T9R
Crystal structure of Crocodile defensin CpoBD13:phosphatidic acid complex
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 | PIXEL |
| Collection date | 2020-08-28 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 27.056, 33.694, 36.642 |
| Unit cell angles | 90.09, 90.02, 90.01 |
Refinement procedure
| Resolution | 24.780 - 1.450 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7t9q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.064 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.820 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.081 | 0.652 |
| Number of reflections | 21344 | 1038 |
| <I/σ(I)> | 6.5 | 2 |
| Completeness [%] | 99.9 | 90.3 |
| Redundancy | 2.5 | 2.5 |
| CC(1/2) | 0.990 | 0.416 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.8M Sodium phosphate monobasic monohydrate, 0.8M Potassium phosphate monobasic, 0.1M sodium HEPES pH 7.5 |
