8KDQ
De novo design protein -T03
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.500, 33.469, 71.772 |
Unit cell angles | 90.00, 91.89, 90.00 |
Refinement procedure
Resolution | 31.210 - 1.700 |
R-factor | 0.2097 |
Rwork | 0.206 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 22229 | 2116 |
<I/σ(I)> | 14.75 | |
Completeness [%] | 96.5 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M Magnesium Chloride 30% w/v PEG 4K |