3LO1
Crystal structure of human alpha-defensin 1 (Y16A 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 | 2009-04-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 33.463, 74.649, 25.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.18777 |
| Rwork | 0.186 |
| R-free | 0.22464 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gny |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.676 |
| 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] | 37.325 | 1.590 |
| High resolution limit [Å] | 1.563 | 1.560 |
| Rmerge | 0.090 | 0.192 |
| Number of reflections | 4857 | |
| <I/σ(I)> | 28.3 | 16 |
| Completeness [%] | 99.0 | 87.3 |
| Redundancy | 13.3 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 25% PEG 4,000; 0.2 M ammonium sulfate; 0.1 M sodium acetate, pH 4.6 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
