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 |