3H6C
Crystal structure of human alpha-defensin 1 (Mutant Gln22Ala)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 46.521, 48.354, 24.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.630 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.19900 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.783 |
| 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] | 33.525 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.061 | 0.221 |
| Number of reflections | 6719 | |
| <I/σ(I)> | 12.5 | 6.7 |
| Completeness [%] | 91.0 | 78.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M magnesium acetate tetrahydrate, 0.1 M cacodylate trihydrate pH 6.5, 30% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
