6DMQ
Crystal structure of the T27A mutant of human alpha defensin HNP4.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.704, 38.989, 71.130 |
| Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
| Resolution | 33.730 - 1.700 |
| R-factor | 0.27112 |
| Rwork | 0.269 |
| R-free | 0.30998 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.098 | |
| Rpim | 0.060 | 0.660 |
| Number of reflections | 27445 | |
| <I/σ(I)> | 17.7 | 1.2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.990 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 30% MPD 15% PEG 8000 100 mM sodium acetate pH 5.5 100 mM calcium chloride |
