5KI9
Crystal structure of human beta-defensin 4 (HBD4)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 41.704, 41.704, 52.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.600 |
| R-factor | 0.2336 |
| Rwork | 0.230 |
| R-free | 0.26780 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.050 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.059 | 0.041 | 0.865 |
| Rmeas | 0.060 | ||
| Rpim | 0.014 | ||
| Total number of observations | 116371 | ||
| Number of reflections | 6994 | ||
| <I/σ(I)> | 16.7 | ||
| Completeness [%] | 95.6 | 100 | 8 |
| Redundancy | 16.6 | 15.6 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 25.5% PEG 8,000, 0.085 M sodium acetate buffer pH 4.5, 0.17 M Lithium Sulfate, 15% Glycerol |
