3QYD
Crystal structure of a recombinant chimeric trypsin inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2010-10-08 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.530, 39.250, 94.280 |
| Unit cell angles | 90.00, 118.95, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.970 |
| Rwork | 0.210 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i2x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.670 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.970 |
| Rmerge | 0.118 |
| Number of reflections | 11790 |
| <I/σ(I)> | 3.6 |
| Completeness [%] | 91.5 |
| Redundancy | 2.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 35% PEG, 0.1M Tris, 5% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
