6DKZ
Racemic structure of ribifolin, an orbitide from Jatropha ribifolia
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 | 2017-09-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21/n 1 |
Unit cell lengths | 14.061, 19.862, 18.632 |
Unit cell angles | 90.00, 91.70, 90.00 |
Refinement procedure
Resolution | 11.473 - 0.990 |
R-factor | 0.1727 |
Rwork | 0.172 |
R-free | 0.17390 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.046 |
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] | 19.860 | 1.010 |
High resolution limit [Å] | 0.990 | 0.990 |
Number of reflections | 5474 | |
<I/σ(I)> | 31.3 | |
Completeness [%] | 94.4 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | in 0.1 M Tris base (pH 8.0) and 40% 2-methyl-2,4-pentanediol |