5E5T
Quasi-racemic snakin-1 in P1 after radiation damage
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 | 2015-04-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.256, 37.442, 50.391 |
| Unit cell angles | 92.96, 90.55, 102.58 |
Refinement procedure
| Resolution | 36.488 - 1.572 |
| R-factor | 0.2065 |
| Rwork | 0.205 |
| R-free | 0.24260 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS (January 10, 2014) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | SHELXDE (FORTRAN-95 VERSION) |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.490 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.068 | 0.513 |
| Number of reflections | 29896 | |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 96.5 | 93.2 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 3.8 M sodium formate |
