8S5T
Structure of SemD in complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-21 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.967697 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 120.222, 120.222, 65.241 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.280 - 3.300 |
R-factor | 0.1946 |
Rwork | 0.190 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.235 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.280 | 3.418 |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 15861 | 852 |
<I/σ(I)> | 18.32 | 3.4 |
Completeness [%] | 99.6 | |
Redundancy | 20 | |
CC(1/2) | 0.999 | 0.922 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M ammonium formate, 0.1 M MES (pH 6.2), 25% v/v PEG 400 |