3H6C
Crystal structure of human alpha-defensin 1 (Mutant Gln22Ala)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-09-30 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 46.521, 48.354, 24.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.630 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.19900 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.783 |
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] | 33.525 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.061 | 0.221 |
Number of reflections | 6719 | |
<I/σ(I)> | 12.5 | 6.7 |
Completeness [%] | 91.0 | 78.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M magnesium acetate tetrahydrate, 0.1 M cacodylate trihydrate pH 6.5, 30% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |