7E5M
crystal structure of trans assembled human TROP-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.543, 126.882, 54.072 |
Unit cell angles | 90.00, 118.39, 90.00 |
Refinement procedure
Resolution | 45.340 - 3.200 |
R-factor | 0.2483 |
Rwork | 0.239 |
R-free | 0.28350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mzv |
RMSD bond length | 0.003 |
RMSD bond angle | 0.689 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.310 |
High resolution limit [Å] | 3.190 | 3.200 |
Rmerge | 0.179 | 0.900 |
Number of reflections | 7911 | 7911 |
<I/σ(I)> | 8.832 | |
Completeness [%] | 99.5 | 100 |
Redundancy | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M potassium iodide, 0.1 M MES, pH 6.5, and 25% w/v PEG 4000 |