3RXR
Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.522, 57.995, 66.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.720 |
| R-factor | 0.15928 |
| Rwork | 0.158 |
| R-free | 0.17863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s0r |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.056 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.720 |
| Rmerge | 0.044 |
| Number of reflections | 22224 |
| Completeness [%] | 96.1 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Tris-HCl, 30% PEG 3350, 0.2M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
