3GNY
Crystal structure of human alpha-defensin 1 (HNP1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 45.466, 31.339, 40.205 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.560 |
| R-factor | 0.17246 |
| Rwork | 0.171 |
| R-free | 0.19498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dfn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.423 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.466 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.070 | 0.152 |
| Number of reflections | 8119 | |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 94.2 | 85.9 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M imidazole, pH 6.5, 1.0 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
