8K7Z
De novo design protein -N1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.436, 60.518, 37.996 |
Unit cell angles | 90.00, 106.03, 90.00 |
Refinement procedure
Resolution | 23.300 - 1.300 |
R-factor | 0.1768 |
Rwork | 0.176 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.747 |
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] | 32.890 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 36124 | 1473 |
<I/σ(I)> | 15.2 | |
Completeness [%] | 98.6 | |
Redundancy | 6.2 | |
CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.1M Sodium citrate pH5.6 20%w/v PEG 4000 |