8JBI
SteC 202-375 mutant- C276S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-02 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.998, 92.880, 88.838 |
Unit cell angles | 90.00, 107.82, 90.00 |
Refinement procedure
Resolution | 40.398 - 2.356 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.24220 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.163 |
Data scaling software | STARANISO (1.0.5) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.398 | 2.480 |
High resolution limit [Å] | 2.356 | 2.360 |
Rmerge | 0.072 | 0.680 |
Rmeas | 0.724 | |
Rpim | 0.022 | 0.246 |
Number of reflections | 35432 | 5280 |
<I/σ(I)> | 24.3 | 2.9 |
Completeness [%] | 96.9 | 99.1 |
Redundancy | 11.4 | |
CC(1/2) | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 291.15 | Sodium cacodylate trihydrate, Ammonium sulfate, Magnesium sulfate heptahydrate |