3LO2
Crystal structure of human alpha-defensin 1 (Y21A 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 | 2008-03-18 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.675, 29.882, 41.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.560 |
R-factor | 0.17458 |
Rwork | 0.173 |
R-free | 0.19966 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gny |
RMSD bond length | 0.014 |
RMSD bond angle | 1.670 |
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] | 41.552 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.107 | 0.106 |
Number of reflections | 7534 | |
<I/σ(I)> | 10.3 | 2.9 |
Completeness [%] | 93.0 | 80.3 |
Redundancy | 3.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG 8,000; 0.2 M ammonium sulfate, pH pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |