8KC5
De novo design protein -T09
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 PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.026, 59.415, 85.421 |
Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
Resolution | 36.300 - 2.300 |
R-factor | 0.2116 |
Rwork | 0.207 |
R-free | 0.25470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.506 |
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] | 48.720 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 20207 | 1944 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 97.9 | |
Redundancy | 2 | 5.5 |
CC(1/2) | 0.999 | 0.793 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M Imidazole malate pH5.5 33% w/v PEG600 |