5NNM
The crystal structure of dimeric LL-37
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 44.577, 44.577, 87.847 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.600 - 1.900 |
| R-factor | 0.22473 |
| Rwork | 0.223 |
| R-free | 0.25101 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.039 |
| RMSD bond angle | 2.946 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 10991 |
| <I/σ(I)> | 7.75 |
| Completeness [%] | 99.2 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 15% Peg400, 0.1 M Tris, pH 8 |
