3LO4
Crystal structure of human alpha-defensin 1 (R24A 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 | 2009-04-08 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 46.627, 48.673, 24.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.750 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gny |
RMSD bond length | 0.016 |
RMSD bond angle | 1.585 |
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] | 33.670 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.050 | 0.568 |
Number of reflections | 5942 | |
<I/σ(I)> | 25.7 | 2.8 |
Completeness [%] | 99.0 | 97.2 |
Redundancy | 5.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 298 | 20% PEG 4,000; 0.1 M sodium citrate tribasic dehydrate; 20% iso-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |