4E82
Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe 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 | 2009-06-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 22.317, 37.733, 59.852 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.1721 |
| Rwork | 0.170 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.805 |
| 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 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.122 | 0.180 |
| Number of reflections | 6204 | |
| <I/σ(I)> | 17.5 | 3.8 |
| Completeness [%] | 56.0 | 92.3 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M sodium citrate tribasic dehydrate, 0.1 M HEPES sodium, 20% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
