4E83
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 39.229, 60.772, 20.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.960 - 1.900 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmp |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.997 |
| 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 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.081 | 0.406 |
| Number of reflections | 4623 | |
| <I/σ(I)> | 21 | 1.2 |
| Completeness [%] | 57.0 | 66.7 |
| Redundancy | 5.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 1.0 M HEPES sodium, pH 7.5, 0.2 M magnesium chloride hexahydrate, 30% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
