3LOE
Crystal structure of human alpha-defensin 1 (F28A 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 | 2009-03-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 31.527, 39.827, 46.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.560 |
R-factor | 0.174 |
Rwork | 0.174 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gny |
RMSD bond length | 0.015 |
RMSD bond angle | 1.552 |
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] | 30.182 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.087 | 0.098 |
Number of reflections | 4342 | |
<I/σ(I)> | 20.1 | 18.6 |
Completeness [%] | 99.9 | 83.5 |
Redundancy | 6.7 | 6 |
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 |