5INZ
Racemic structure of baboon theta defensin-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P -1 |
Unit cell lengths | 27.248, 31.303, 37.926 |
Unit cell angles | 100.67, 93.60, 115.15 |
Refinement procedure
Resolution | 36.796 - 1.447 |
R-factor | 0.2235 |
Rwork | 0.222 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2lye |
RMSD bond length | 0.052 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.8.4_1496) |
Refinement software | PHENIX ((1.10_2142)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 36.796 |
High resolution limit [Å] | 1.447 |
Number of reflections | 18567 |
<I/σ(I)> | 8.6 |
Completeness [%] | 94.4 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1 M ammonium sulfate, 15% PEG 3350, 0.1 M Bis-tris pH 5.5 |