7T9Q
Crystal structure of Crocodile defensin CpoBD13
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 | 2018-03-02 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.700, 56.425, 33.102 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.080 - 1.800 |
| R-factor | 0.2283 |
| Rwork | 0.227 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cs9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.181 |
| 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] | 19.080 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.085 | 0.521 |
| Number of reflections | 4157 | 308 |
| <I/σ(I)> | 4.2 | 1.1 |
| Completeness [%] | 98.0 | 99.3 |
| Redundancy | 2.7 | 2.8 |
| CC(1/2) | 0.995 | 0.461 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M trisodium citrate pH 5.5, 20 % PEG 3K |
