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 |