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)) |