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 |