4RBW
Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-31 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 20.550, 51.703, 50.676 |
| Unit cell angles | 90.00, 96.35, 90.00 |
Refinement procedure
| Resolution | 36.077 - 1.500 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.22131 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmp |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.080 | 1.800 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.089 | 0.623 |
| Number of reflections | 15346 | |
| <I/σ(I)> | 28.6 | 2.8 |
| Completeness [%] | 90.5 | 93.1 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294.15 | 0.1M MES pH 6.5, 0.5M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
