2UUX
Structure of the tryptase inhibitor TdPI from a tick
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 53.676, 28.594, 30.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.570 - 1.400 |
| R-factor | 0.171 |
| Rwork | 0.168 |
| R-free | 0.22400 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.671 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.030 | 0.620 |
| Number of reflections | 10942 | |
| <I/σ(I)> | 21 | 1.6 |
| Completeness [%] | 91.0 | 72 |
| Redundancy | 8.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.4 M AMMONIUM SULFATE 0.1 M TRIS-HCL, PH 8 20% MPD |
