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) |