5CUM
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.127 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 47.603, 59.966, 38.272 |
| Unit cell angles | 90.00, 111.36, 90.00 |
Refinement procedure
| Resolution | 35.649 - 1.752 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.21960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.231 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.704 |
| Number of reflections | 10121 | |
| <I/σ(I)> | 19.2 | 1.2 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.429 M sodium chloride, 9.9% isopropanol, 0.1 M calcium chloride, and 0.1 M imidazole pH 6.5 |
