4TTK
Racemic structure of Sunflower Trypsin Inhibitor-1 (SFTI-1)
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 | 2013-11-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P -3 |
| Unit cell lengths | 42.640, 42.640, 12.965 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.957 - 1.250 |
| R-factor | 0.2637 |
| Rwork | 0.262 |
| R-free | 0.27630 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.253 |
| Data reduction software | CrystalClear |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.460 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.221 | |
| Number of reflections | 7289 | |
| <I/σ(I)> | 45.3 | 7.3 |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 11.4 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 1.0 M ammonium sulfate, 3% w/v polyethylene glycol 8,000, 0.14 M sodium thiocyanate |
