4E86
Crystal structure of human alpha-defensin 5, HD5 (Leu29Aba mutant)
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 | 2012-02-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.141, 40.757, 54.215 |
| Unit cell angles | 90.00, 96.38, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.20674 |
| Rwork | 0.204 |
| R-free | 0.25337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.830 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.146 | 0.949 |
| Number of reflections | 7168 | |
| <I/σ(I)> | 15 | 1.8 |
| Completeness [%] | 54.0 | 99.7 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES sodium, pH 7.5, 0.8 M sodium phosphate monobasic monohydrate, 0.8 M potassium phosphate monobasic, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
