1OYV
Crystal structure of tomato inhibitor-II in a ternary complex with subtilisin Carlsberg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.971, 55.099, 91.338 |
| Unit cell angles | 90.00, 119.54, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.500 |
| R-factor | 0.22 |
| Rwork | 0.214 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1scn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.370 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.123 | 0.473 |
| Total number of observations | 97405 * | |
| Number of reflections | 23099 * | 2173 * |
| <I/σ(I)> | 11.6 | 2.4 |
| Completeness [%] | 98.3 | 94.1 |
| Redundancy | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 18 (%(w/v)) | |
| 2 | 1 | reservoir | sodium malonate | 200 (mM) | |
| 3 | 1 | reservoir | sodium citrate | 75 (mM) | pH6.0 |
| 4 | 1 | reservoir | ethylene glycol | 10 (%(w/v)) | |
| 5 | 1 | reservoir | ethanol | 5 (%(v/v)) |
