3LO6
Crystal structure of human alpha-defensin 1 (W26Aba 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 | 2009-02-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 45.600, 31.024, 39.726 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.560 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gny |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.663 |
| 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] | 39.726 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.050 | 0.096 |
| Number of reflections | 8416 | |
| <I/σ(I)> | 24.9 | 25 |
| Completeness [%] | 99.0 | 94.4 |
| Redundancy | 6.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 30% MPD; 0.1 M HEPES sodium pH 7.5; 0.2 M sodium citrate dihydrate , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
