3I5W
Crystal structure of human alpha-defensin 5 (mutant R13H)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 48.018, 49.754, 62.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.630 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zmp |
RMSD bond length | 0.017 |
RMSD bond angle | 1.733 |
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] | 38.891 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.075 | 0.512 |
Number of reflections | 9433 | |
<I/σ(I)> | 26.7 | 3.4 |
Completeness [%] | 97.7 | 81.6 |
Redundancy | 6.8 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 273 | 20% PEG 4000, 20% 2-propanol, 0.1M Na citrate buffer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K |