3ATK
Crystal structure of trypsin complexed with cycloheptanamine
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) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.501, 58.117, 66.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.880 - 1.740 |
| R-factor | 0.16355 |
| Rwork | 0.162 |
| R-free | 0.18413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a7t |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.089 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.031 | 0.110 |
| Number of reflections | 21283 | |
| <I/σ(I)> | 43.8 | 12.5 |
| Completeness [%] | 95.5 | 91.1 |
| Redundancy | 6.5 | 6.3 |
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 |
