2PM1
Derivative of human alpha-defensin 1 (HNP1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Detector technology | CCD |
| Collection date | 2007-03-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 38.811, 38.811, 31.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.15363 |
| Rwork | 0.151 |
| R-free | 0.20087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dfn |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.959 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.077 | 0.405 |
| Number of reflections | 3787 | |
| <I/σ(I)> | 16.7 | 2.8 |
| Completeness [%] | 98.4 | 98.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M sodium citrate, 0.1 M HEPES, 20 (v/v/) iso-Propanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
