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 |