8K89
Crystal structure of NFIL3
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 | 2022-12-12 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.116, 65.684, 85.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.520 - 2.100 |
| R-factor | 0.2378 |
| Rwork | 0.235 |
| R-free | 0.28890 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.955 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.750 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 12570 | 1967 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 91.0 | 99.9 |
| Redundancy | 5.5 | |
| CC(1/2) | 0.997 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium cacodylate trihydrate pH 6.5, 1.4 M Sodium acetate trihydrate |
