2UUY
Structure of a tick tryptase inhibitor in complex with bovine trypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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 21 |
| Unit cell lengths | 46.949, 67.690, 69.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.340 - 1.150 |
| R-factor | 0.132 |
| Rwork | 0.130 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.556 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.250 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 77853 | |
| <I/σ(I)> | 15 | 2.4 |
| Completeness [%] | 98.4 | 94 |
| Redundancy | 6.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M BIS-TRIS, PH 6.5 0.2 M MGCL2 25% PEG3350 (W/V) |
