3GO0
Crystal structure of D-enantiomer of human alpha-defensin 1 (D-HNP1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-12-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 45.277, 31.098, 40.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 1.560 |
R-factor | 0.187 |
Rwork | 0.187 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gny |
RMSD bond length | 0.008 |
RMSD bond angle | 1.782 |
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] | 40.281 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.078 | 0.217 |
Number of reflections | 8404 | |
<I/σ(I)> | 9.7 | |
Completeness [%] | 98.9 | 84.5 |
Redundancy | 6.6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 sodium citrate tribasic dehydrate, 0.1 M HEPES, pH 7.5, 20% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |