5IMY
Trapped Toxin
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 | 2015-12-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.894, 141.713, 106.732 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.639 - 2.400 |
| R-factor | 0.2354 |
| Rwork | 0.234 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3r |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.716 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 48.315 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 49244 |
| <I/σ(I)> | 13.1 |
| Completeness [%] | 99.9 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium acetate, PEG 10000, Bis-Tris, Magnesium chloride |
