2AYW
Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 68.550, 68.550, 73.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 0.970 |
| R-factor | 0.13773 |
| Rwork | 0.134 |
| R-free | 0.15683 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jrt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.660 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.000 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Number of reflections | 116664 | |
| <I/σ(I)> | 18.2 | 3.1 |
| Completeness [%] | 99.6 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 5mM MES, 1mM CaCl2, 2.5mM benzamidine, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
