9QFU
Human Tryptase beta-2 (hTPSB2) complexed with covalent inhibitor Compound #1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-07-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 31 |
| Unit cell lengths | 78.552, 78.552, 165.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.930 - 1.983 |
| R-factor | 0.17907 |
| Rwork | 0.177 |
| R-free | 0.22074 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | REFMAC (v.5.8.0267) |
| Refinement software | REFMAC (v.5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.930 | 2.017 |
| High resolution limit [Å] | 1.983 | 1.983 |
| Number of reflections | 74832 | 74832 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.995 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | The protein was formulated as a 2 mg/mL solution in 10 mM MES (pH 6.1) and 2M NaCl, and was crystallized from a solution of 0.1 M NaoAc (pH 4.6), 0.2 M ammonium sulfate and 30% PEG 1500 |
