1K2I
Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-08-17 |
| Detector | MACSCIENCE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 69.852, 69.852, 97.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.179 * |
| Rwork | 0.180 |
| R-free | 0.19950 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1gct |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.290 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.084 | 0.351 |
| Total number of observations | 104762 * | |
| Number of reflections | 22972 | |
| <I/σ(I)> | 18.3 | 4.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, sodium cacodylate, dioxane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 52 (%(w/v)sat) | |
| 2 | 1 | drop | enzyme | 10 (mg/ml) | |
| 3 | 1 | drop | sodium cacodylate | 0.1 (M) | pH7.0 |
| 4 | 1 | drop | dioxane | 2.5 (%(v/v)) |
