1ZMI
Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group )
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 71.685, 71.685, 54.882 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.150 |
| R-factor | 0.16876 |
| Rwork | 0.168 |
| R-free | 0.18202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Based on monomer of HNP-3 (PDB code 1DFN) |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.890 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.220 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 57187 | |
| <I/σ(I)> | 17 | 2.4 |
| Completeness [%] | 98.5 | 90.4 |
| Redundancy | 8.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | lithium sulfate, PEG8000, VAPOR DIFFUSION, temperature 293K |
