8HD8
Crystal structure of TMPRSS2 in complex with 212-148
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.474, 93.835, 94.243 |
Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
Resolution | 46.920 - 2.400 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7meq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.077 |
Data reduction software | XDS (2020-12-02) |
Data scaling software | XDS (2020-12-02) |
Phasing software | PHENIX (1.20.1-4487-000) |
Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.920 | 46.920 | 2.540 |
High resolution limit [Å] | 2.400 | 7.180 | 2.400 |
Rmerge | 0.120 | 0.040 | 0.708 |
Rmeas | 0.135 | 0.046 | 0.829 |
Number of reflections | 33102 | 1263 | 5316 |
<I/σ(I)> | 9.98 | ||
Completeness [%] | 99.6 | ||
Redundancy | 4.41 | ||
CC(1/2) | 0.995 | 0.997 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M acetic acid/sodium acetate, pH 4.0, 20% w/v PEG 4000 |