6DL0
Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
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 | 2017-08-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P b c a |
Unit cell lengths | 41.235, 21.600, 10.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.800 - 1.200 |
R-factor | 0.1213 |
Rwork | 0.121 |
R-free | 0.12620 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.253 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2142: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.300 | 1.290 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.043 | 0.163 |
Number of reflections | 2957 | |
<I/σ(I)> | 16 | |
Completeness [%] | 99.6 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 28% v/v propanol, 0.1 M bis-tris (pH 6.5) and 3% w/v polyethylene glycol 200 |